1296 
 alpha-CuSCNH2 (3x3x3 supercell)
Cu 1.98404653721125 0.998680490092283 1.40214722961956 
Cu 12.7001178502112 0.998680490092283 1.40214722961956 
Cu 23.4161891632112 0.998680490092283 1.40214722961956 
Cu 1.98404653721125 8.43366479809228 1.40214722961956 
Cu 12.7001178502112 8.43366479809228 1.40214722961956 
Cu 23.4161891632112 8.43366479809228 1.40214722961956 
Cu 1.98404653721125 15.8686491060923 1.40214722961956 
Cu 12.7001178502112 15.8686491060923 1.40214722961956 
Cu 23.4161891632112 15.8686491060923 1.40214722961956 
Cu 1.98404653721125 0.998680490092283 8.29367832461957 
Cu 12.7001178502112 0.998680490092283 8.29367832461957 
Cu 23.4161891632112 0.998680490092283 8.29367832461957 
Cu 1.98404653721125 8.43366479809228 8.29367832461957 
Cu 12.7001178502112 8.43366479809228 8.29367832461957 
Cu 23.4161891632112 8.43366479809228 8.29367832461957 
Cu 1.98404653721125 15.8686491060923 8.29367832461957 
Cu 12.7001178502112 15.8686491060923 8.29367832461957 
Cu 23.4161891632112 15.8686491060923 8.29367832461957 
Cu 1.98404653721125 0.998680490092283 15.1852094196196 
Cu 12.7001178502112 0.998680490092283 15.1852094196196 
Cu 23.4161891632112 0.998680490092283 15.1852094196196 
Cu 1.98404653721125 8.43366479809228 15.1852094196196 
Cu 12.7001178502112 8.43366479809228 15.1852094196196 
Cu 23.4161891632112 8.43366479809228 15.1852094196196 
Cu 1.98404653721125 15.8686491060923 15.1852094196196 
Cu 12.7001178502112 15.8686491060923 15.1852094196196 
Cu 23.4161891632112 15.8686491060923 15.1852094196196 
Cu 8.71592242125528 6.34251895558654 5.54315192866865 
Cu 19.4319937342553 6.34251895558654 5.54315192866865 
Cu 30.1480650472553 6.34251895558654 5.54315192866865 
Cu 8.71592242125528 13.7775032635865 5.54315192866865 
Cu 19.4319937342553 13.7775032635865 5.54315192866865 
Cu 30.1480650472553 13.7775032635865 5.54315192866865 
Cu 8.71592242125528 21.2124875715865 5.54315192866865 
Cu 19.4319937342553 21.2124875715865 5.54315192866865 
Cu 30.1480650472553 21.2124875715865 5.54315192866865 
Cu 8.71592242125528 6.34251895558654 12.4346830236687 
Cu 19.4319937342553 6.34251895558654 12.4346830236687 
Cu 30.1480650472553 6.34251895558654 12.4346830236687 
Cu 8.71592242125528 13.7775032635865 12.4346830236687 
Cu 19.4319937342553 13.7775032635865 12.4346830236687 
Cu 30.1480650472553 13.7775032635865 12.4346830236687 
Cu 8.71592242125528 21.2124875715865 12.4346830236687 
Cu 19.4319937342553 21.2124875715865 12.4346830236687 
Cu 30.1480650472553 21.2124875715865 12.4346830236687 
Cu 8.71592242125528 6.34251895558654 19.3262141186687 
Cu 19.4319937342553 6.34251895558654 19.3262141186687 
Cu 30.1480650472553 6.34251895558654 19.3262141186687 
Cu 8.71592242125528 13.7775032635865 19.3262141186687 
Cu 19.4319937342553 13.7775032635865 19.3262141186687 
Cu 30.1480650472553 13.7775032635865 19.3262141186687 
Cu 8.71592242125528 21.2124875715865 19.3262141186687 
Cu 19.4319937342553 21.2124875715865 19.3262141186687 
Cu 30.1480650472553 21.2124875715865 19.3262141186687 
Cu 2.00014889174473 2.62502680158654 4.79414471383135 
Cu 12.7162202047447 2.62502680158654 4.79414471383135 
Cu 23.4322915177447 2.62502680158654 4.79414471383135 
Cu 2.00014889174473 10.0600111095865 4.79414471383135 
Cu 12.7162202047447 10.0600111095865 4.79414471383135 
Cu 23.4322915177447 10.0600111095865 4.79414471383135 
Cu 2.00014889174473 17.4949954175865 4.79414471383135 
Cu 12.7162202047447 17.4949954175865 4.79414471383135 
Cu 23.4322915177447 17.4949954175865 4.79414471383135 
Cu 2.00014889174473 2.62502680158654 11.6856758088314 
Cu 12.7162202047447 2.62502680158654 11.6856758088314 
Cu 23.4322915177447 2.62502680158654 11.6856758088314 
Cu 2.00014889174473 10.0600111095865 11.6856758088314 
Cu 12.7162202047447 10.0600111095865 11.6856758088314 
Cu 23.4322915177447 10.0600111095865 11.6856758088314 
Cu 2.00014889174473 17.4949954175865 11.6856758088314 
Cu 12.7162202047447 17.4949954175865 11.6856758088314 
Cu 23.4322915177447 17.4949954175865 11.6856758088314 
Cu 2.00014889174473 2.62502680158654 18.5772069038314 
Cu 12.7162202047447 2.62502680158654 18.5772069038314 
Cu 23.4322915177447 2.62502680158654 18.5772069038314 
Cu 2.00014889174473 10.0600111095865 18.5772069038314 
Cu 12.7162202047447 10.0600111095865 18.5772069038314 
Cu 23.4322915177447 10.0600111095865 18.5772069038314 
Cu 2.00014889174473 17.4949954175865 18.5772069038314 
Cu 12.7162202047447 17.4949954175865 18.5772069038314 
Cu 23.4322915177447 17.4949954175865 18.5772069038314 
Cu 8.73202477578876 4.71617264409228 2.04361831788044 
Cu 19.4480960887888 4.71617264409228 2.04361831788044 
Cu 30.1641674017888 4.71617264409228 2.04361831788044 
Cu 8.73202477578876 12.1511569520923 2.04361831788044 
Cu 19.4480960887888 12.1511569520923 2.04361831788044 
Cu 30.1641674017888 12.1511569520923 2.04361831788044 
Cu 8.73202477578876 19.5861412600923 2.04361831788044 
Cu 19.4480960887888 19.5861412600923 2.04361831788044 
Cu 30.1641674017888 19.5861412600923 2.04361831788044 
Cu 8.73202477578876 4.71617264409228 8.93514941288044 
Cu 19.4480960887888 4.71617264409228 8.93514941288044 
Cu 30.1641674017888 4.71617264409228 8.93514941288044 
Cu 8.73202477578876 12.1511569520923 8.93514941288044 
Cu 19.4480960887888 12.1511569520923 8.93514941288044 
Cu 30.1641674017888 12.1511569520923 8.93514941288044 
Cu 8.73202477578876 19.5861412600923 8.93514941288044 
Cu 19.4480960887888 19.5861412600923 8.93514941288044 
Cu 30.1641674017888 19.5861412600923 8.93514941288044 
Cu 8.73202477578876 4.71617264409228 15.8266805078804 
Cu 19.4480960887888 4.71617264409228 15.8266805078804 
Cu 30.1641674017888 4.71617264409228 15.8266805078804 
Cu 8.73202477578876 12.1511569520923 15.8266805078804 
Cu 19.4480960887888 12.1511569520923 15.8266805078804 
Cu 30.1641674017888 12.1511569520923 15.8266805078804 
Cu 8.73202477578876 19.5861412600923 15.8266805078804 
Cu 19.4480960887888 19.5861412600923 15.8266805078804 
Cu 30.1641674017888 19.5861412600923 15.8266805078804 
Cu 3.37398911928876 4.71617264409228 1.40214722961956 
Cu 14.0900604322888 4.71617264409228 1.40214722961956 
Cu 24.8061317452888 4.71617264409228 1.40214722961956 
Cu 3.37398911928876 12.1511569520923 1.40214722961956 
Cu 14.0900604322888 12.1511569520923 1.40214722961956 
Cu 24.8061317452888 12.1511569520923 1.40214722961956 
Cu 3.37398911928876 19.5861412600923 1.40214722961956 
Cu 14.0900604322888 19.5861412600923 1.40214722961956 
Cu 24.8061317452888 19.5861412600923 1.40214722961956 
Cu 3.37398911928876 4.71617264409228 8.29367832461957 
Cu 14.0900604322888 4.71617264409228 8.29367832461957 
Cu 24.8061317452888 4.71617264409228 8.29367832461957 
Cu 3.37398911928876 12.1511569520923 8.29367832461957 
Cu 14.0900604322888 12.1511569520923 8.29367832461957 
Cu 24.8061317452888 12.1511569520923 8.29367832461957 
Cu 3.37398911928876 19.5861412600923 8.29367832461957 
Cu 14.0900604322888 19.5861412600923 8.29367832461957 
Cu 24.8061317452888 19.5861412600923 8.29367832461957 
Cu 3.37398911928876 4.71617264409228 15.1852094196196 
Cu 14.0900604322888 4.71617264409228 15.1852094196196 
Cu 24.8061317452888 4.71617264409228 15.1852094196196 
Cu 3.37398911928876 12.1511569520923 15.1852094196196 
Cu 14.0900604322888 12.1511569520923 15.1852094196196 
Cu 24.8061317452888 12.1511569520923 15.1852094196196 
Cu 3.37398911928876 19.5861412600923 15.1852094196196 
Cu 14.0900604322888 19.5861412600923 15.1852094196196 
Cu 24.8061317452888 19.5861412600923 15.1852094196196 
Cu 7.35818454824473 2.62502680158654 5.54315192866865 
Cu 18.0742558612447 2.62502680158654 5.54315192866865 
Cu 28.7903271742447 2.62502680158654 5.54315192866865 
Cu 7.35818454824473 10.0600111095865 5.54315192866865 
Cu 18.0742558612447 10.0600111095865 5.54315192866865 
Cu 28.7903271742447 10.0600111095865 5.54315192866865 
Cu 7.35818454824473 17.4949954175865 5.54315192866865 
Cu 18.0742558612447 17.4949954175865 5.54315192866865 
Cu 28.7903271742447 17.4949954175865 5.54315192866865 
Cu 7.35818454824473 2.62502680158654 12.4346830236687 
Cu 18.0742558612447 2.62502680158654 12.4346830236687 
Cu 28.7903271742447 2.62502680158654 12.4346830236687 
Cu 7.35818454824473 10.0600111095865 12.4346830236687 
Cu 18.0742558612447 10.0600111095865 12.4346830236687 
Cu 28.7903271742447 10.0600111095865 12.4346830236687 
Cu 7.35818454824473 17.4949954175865 12.4346830236687 
Cu 18.0742558612447 17.4949954175865 12.4346830236687 
Cu 28.7903271742447 17.4949954175865 12.4346830236687 
Cu 7.35818454824473 2.62502680158654 19.3262141186687 
Cu 18.0742558612447 2.62502680158654 19.3262141186687 
Cu 28.7903271742447 2.62502680158654 19.3262141186687 
Cu 7.35818454824473 10.0600111095865 19.3262141186687 
Cu 18.0742558612447 10.0600111095865 19.3262141186687 
Cu 28.7903271742447 10.0600111095865 19.3262141186687 
Cu 7.35818454824473 17.4949954175865 19.3262141186687 
Cu 18.0742558612447 17.4949954175865 19.3262141186687 
Cu 28.7903271742447 17.4949954175865 19.3262141186687 
Cu 3.35788676475527 6.34251895558654 4.79414471383135 
Cu 14.0739580777553 6.34251895558654 4.79414471383135 
Cu 24.7900293907553 6.34251895558654 4.79414471383135 
Cu 3.35788676475527 13.7775032635865 4.79414471383135 
Cu 14.0739580777553 13.7775032635865 4.79414471383135 
Cu 24.7900293907553 13.7775032635865 4.79414471383135 
Cu 3.35788676475527 21.2124875715865 4.79414471383135 
Cu 14.0739580777553 21.2124875715865 4.79414471383135 
Cu 24.7900293907553 21.2124875715865 4.79414471383135 
Cu 3.35788676475527 6.34251895558654 11.6856758088314 
Cu 14.0739580777553 6.34251895558654 11.6856758088314 
Cu 24.7900293907553 6.34251895558654 11.6856758088314 
Cu 3.35788676475527 13.7775032635865 11.6856758088314 
Cu 14.0739580777553 13.7775032635865 11.6856758088314 
Cu 24.7900293907553 13.7775032635865 11.6856758088314 
Cu 3.35788676475527 21.2124875715865 11.6856758088314 
Cu 14.0739580777553 21.2124875715865 11.6856758088314 
Cu 24.7900293907553 21.2124875715865 11.6856758088314 
Cu 3.35788676475527 6.34251895558654 18.5772069038314 
Cu 14.0739580777553 6.34251895558654 18.5772069038314 
Cu 24.7900293907553 6.34251895558654 18.5772069038314 
Cu 3.35788676475527 13.7775032635865 18.5772069038314 
Cu 14.0739580777553 13.7775032635865 18.5772069038314 
Cu 24.7900293907553 13.7775032635865 18.5772069038314 
Cu 3.35788676475527 21.2124875715865 18.5772069038314 
Cu 14.0739580777553 21.2124875715865 18.5772069038314 
Cu 24.7900293907553 21.2124875715865 18.5772069038314 
Cu 7.34208219371125 0.998680490092283 2.04361831788044 
Cu 18.0581535067112 0.998680490092283 2.04361831788044 
Cu 28.7742248197113 0.998680490092283 2.04361831788044 
Cu 7.34208219371125 8.43366479809228 2.04361831788044 
Cu 18.0581535067112 8.43366479809228 2.04361831788044 
Cu 28.7742248197113 8.43366479809228 2.04361831788044 
Cu 7.34208219371125 15.8686491060923 2.04361831788044 
Cu 18.0581535067112 15.8686491060923 2.04361831788044 
Cu 28.7742248197113 15.8686491060923 2.04361831788044 
Cu 7.34208219371125 0.998680490092283 8.93514941288044 
Cu 18.0581535067112 0.998680490092283 8.93514941288044 
Cu 28.7742248197113 0.998680490092283 8.93514941288044 
Cu 7.34208219371125 8.43366479809228 8.93514941288044 
Cu 18.0581535067112 8.43366479809228 8.93514941288044 
Cu 28.7742248197113 8.43366479809228 8.93514941288044 
Cu 7.34208219371125 15.8686491060923 8.93514941288044 
Cu 18.0581535067112 15.8686491060923 8.93514941288044 
Cu 28.7742248197113 15.8686491060923 8.93514941288044 
Cu 7.34208219371125 0.998680490092283 15.8266805078804 
Cu 18.0581535067112 0.998680490092283 15.8266805078804 
Cu 28.7742248197113 0.998680490092283 15.8266805078804 
Cu 7.34208219371125 8.43366479809228 15.8266805078804 
Cu 18.0581535067112 8.43366479809228 15.8266805078804 
Cu 28.7742248197113 8.43366479809228 15.8266805078804 
Cu 7.34208219371125 15.8686491060923 15.8266805078804 
Cu 18.0581535067112 15.8686491060923 15.8266805078804 
Cu 28.7742248197113 15.8686491060923 15.8266805078804 
S 2.30368956301037 6.51999815001059 2.6570623830532 
S 13.0197608760104 6.51999815001059 2.6570623830532 
S 23.7358321890104 6.51999815001059 2.6570623830532 
S 2.30368956301037 13.9549824580106 2.6570623830532 
S 13.0197608760104 13.9549824580106 2.6570623830532 
S 23.7358321890104 13.9549824580106 2.6570623830532 
S 2.30368956301037 21.3899667660106 2.6570623830532 
S 13.0197608760104 21.3899667660106 2.6570623830532 
S 23.7358321890104 21.3899667660106 2.6570623830532 
S 2.30368956301037 6.51999815001059 9.54859347805321 
S 13.0197608760104 6.51999815001059 9.54859347805321 
S 23.7358321890104 6.51999815001059 9.54859347805321 
S 2.30368956301037 13.9549824580106 9.54859347805321 
S 13.0197608760104 13.9549824580106 9.54859347805321 
S 23.7358321890104 13.9549824580106 9.54859347805321 
S 2.30368956301037 21.3899667660106 9.54859347805321 
S 13.0197608760104 21.3899667660106 9.54859347805321 
S 23.7358321890104 21.3899667660106 9.54859347805321 
S 2.30368956301037 6.51999815001059 16.4401245730532 
S 13.0197608760104 6.51999815001059 16.4401245730532 
S 23.7358321890104 6.51999815001059 16.4401245730532 
S 2.30368956301037 13.9549824580106 16.4401245730532 
S 13.0197608760104 13.9549824580106 16.4401245730532 
S 23.7358321890104 13.9549824580106 16.4401245730532 
S 2.30368956301037 21.3899667660106 16.4401245730532 
S 13.0197608760104 21.3899667660106 16.4401245730532 
S 23.7358321890104 21.3899667660106 16.4401245730532 
S 8.35476701761279 0.976869695965331 4.26647693809082 
S 19.0708383306128 0.976869695965331 4.26647693809082 
S 29.7869096436128 0.976869695965331 4.26647693809082 
S 8.35476701761279 8.41185400396533 4.26647693809082 
S 19.0708383306128 8.41185400396533 4.26647693809082 
S 29.7869096436128 8.41185400396533 4.26647693809082 
S 8.35476701761279 15.8468383119653 4.26647693809082 
S 19.0708383306128 15.8468383119653 4.26647693809082 
S 29.7869096436128 15.8468383119653 4.26647693809082 
S 8.35476701761279 0.976869695965331 11.1580080330908 
S 19.0708383306128 0.976869695965331 11.1580080330908 
S 29.7869096436128 0.976869695965331 11.1580080330908 
S 8.35476701761279 8.41185400396533 11.1580080330908 
S 19.0708383306128 8.41185400396533 11.1580080330908 
S 29.7869096436128 8.41185400396533 11.1580080330908 
S 8.35476701761279 15.8468383119653 11.1580080330908 
S 19.0708383306128 15.8468383119653 11.1580080330908 
S 29.7869096436128 15.8468383119653 11.1580080330908 
S 8.35476701761279 0.976869695965331 18.0495391280908 
S 19.0708383306128 0.976869695965331 18.0495391280908 
S 29.7869096436128 0.976869695965331 18.0495391280908 
S 8.35476701761279 8.41185400396533 18.0495391280908 
S 19.0708383306128 8.41185400396533 18.0495391280908 
S 29.7869096436128 8.41185400396533 18.0495391280908 
S 8.35476701761279 15.8468383119653 18.0495391280908 
S 19.0708383306128 15.8468383119653 18.0495391280908 
S 29.7869096436128 15.8468383119653 18.0495391280908 
S 2.99673136111279 0.976869695965331 6.07081970440918 
S 13.7128026741128 0.976869695965331 6.07081970440918 
S 24.4288739871128 0.976869695965331 6.07081970440918 
S 2.99673136111279 8.41185400396533 6.07081970440918 
S 13.7128026741128 8.41185400396533 6.07081970440918 
S 24.4288739871128 8.41185400396533 6.07081970440918 
S 2.99673136111279 15.8468383119653 6.07081970440918 
S 13.7128026741128 15.8468383119653 6.07081970440918 
S 24.4288739871128 15.8468383119653 6.07081970440918 
S 2.99673136111279 0.976869695965331 12.9623507994092 
S 13.7128026741128 0.976869695965331 12.9623507994092 
S 24.4288739871128 0.976869695965331 12.9623507994092 
S 2.99673136111279 8.41185400396533 12.9623507994092 
S 13.7128026741128 8.41185400396533 12.9623507994092 
S 24.4288739871128 8.41185400396533 12.9623507994092 
S 2.99673136111279 15.8468383119653 12.9623507994092 
S 13.7128026741128 15.8468383119653 12.9623507994092 
S 24.4288739871128 15.8468383119653 12.9623507994092 
S 2.99673136111279 0.976869695965331 19.8538818944092 
S 13.7128026741128 0.976869695965331 19.8538818944092 
S 24.4288739871128 0.976869695965331 19.8538818944092 
S 2.99673136111279 8.41185400396533 19.8538818944092 
S 13.7128026741128 8.41185400396533 19.8538818944092 
S 24.4288739871128 8.41185400396533 19.8538818944092 
S 2.99673136111279 15.8468383119653 19.8538818944092 
S 13.7128026741128 15.8468383119653 19.8538818944092 
S 24.4288739871128 15.8468383119653 19.8538818944092 
S 7.66172521951037 6.51999815001059 0.788703164446796 
S 18.3777965325104 6.51999815001059 0.788703164446796 
S 29.0938678455104 6.51999815001059 0.788703164446796 
S 7.66172521951037 13.9549824580106 0.788703164446796 
S 18.3777965325104 13.9549824580106 0.788703164446796 
S 29.0938678455104 13.9549824580106 0.788703164446796 
S 7.66172521951037 21.3899667660106 0.788703164446796 
S 18.3777965325104 21.3899667660106 0.788703164446796 
S 29.0938678455104 21.3899667660106 0.788703164446796 
S 7.66172521951037 6.51999815001059 7.6802342594468 
S 18.3777965325104 6.51999815001059 7.6802342594468 
S 29.0938678455104 6.51999815001059 7.6802342594468 
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H 16.7233841716191 14.1249423851445 5.10694225476154 
H 27.4394554846191 14.1249423851445 5.10694225476154 
H 6.00731285861906 21.5599266931445 5.10694225476154 
H 16.7233841716191 21.5599266931445 5.10694225476154 
H 27.4394554846191 21.5599266931445 5.10694225476154 
H 6.00731285861906 6.68995807714452 11.9984733497615 
H 16.7233841716191 6.68995807714452 11.9984733497615 
H 27.4394554846191 6.68995807714452 11.9984733497615 
H 6.00731285861906 14.1249423851445 11.9984733497615 
H 16.7233841716191 14.1249423851445 11.9984733497615 
H 27.4394554846191 14.1249423851445 11.9984733497615 
H 6.00731285861906 21.5599266931445 11.9984733497615 
H 16.7233841716191 21.5599266931445 11.9984733497615 
H 27.4394554846191 21.5599266931445 11.9984733497615 
H 6.00731285861906 6.68995807714452 18.8900044447615 
H 16.7233841716191 6.68995807714452 18.8900044447615 
H 27.4394554846191 6.68995807714452 18.8900044447615 
H 6.00731285861906 14.1249423851445 18.8900044447615 
H 16.7233841716191 14.1249423851445 18.8900044447615 
H 27.4394554846191 14.1249423851445 18.8900044447615 
H 6.00731285861906 21.5599266931445 18.8900044447615 
H 16.7233841716191 21.5599266931445 18.8900044447615 
H 27.4394554846191 21.5599266931445 18.8900044447615 
H 5.57988196161635 2.81326783096206 1.53428658393772 
H 16.2959532746163 2.81326783096206 1.53428658393772 
H 27.0120245876163 2.81326783096206 1.53428658393772 
H 5.57988196161635 10.2482521389621 1.53428658393772 
H 16.2959532746163 10.2482521389621 1.53428658393772 
H 27.0120245876163 10.2482521389621 1.53428658393772 
H 5.57988196161635 17.6832364469621 1.53428658393772 
H 16.2959532746163 17.6832364469621 1.53428658393772 
H 27.0120245876163 17.6832364469621 1.53428658393772 
H 5.57988196161635 2.81326783096206 8.42581767893773 
H 16.2959532746163 2.81326783096206 8.42581767893773 
H 27.0120245876163 2.81326783096206 8.42581767893773 
H 5.57988196161635 10.2482521389621 8.42581767893773 
H 16.2959532746163 10.2482521389621 8.42581767893773 
H 27.0120245876163 10.2482521389621 8.42581767893773 
H 5.57988196161635 17.6832364469621 8.42581767893773 
H 16.2959532746163 17.6832364469621 8.42581767893773 
H 27.0120245876163 17.6832364469621 8.42581767893773 
H 5.57988196161635 2.81326783096206 15.3173487739377 
H 16.2959532746163 2.81326783096206 15.3173487739377 
H 27.0120245876163 2.81326783096206 15.3173487739377 
H 5.57988196161635 10.2482521389621 15.3173487739377 
H 16.2959532746163 10.2482521389621 15.3173487739377 
H 27.0120245876163 10.2482521389621 15.3173487739377 
H 5.57988196161635 17.6832364469621 15.3173487739377 
H 16.2959532746163 17.6832364469621 15.3173487739377 
H 27.0120245876163 17.6832364469621 15.3173487739377 
324 
beta-CuSCNH2 (3x3x3 supercell)
Cu 1.32658371762278 2.49793092925345 10.2966010073528 
Cu 4.74763630462278 0.503744125253446 10.2250903423528 
Cu 8.16868889162278 -1.49044267874655 10.1535796773528 
Cu 1.32642629462278 6.48618628925345 10.4390680253528 
Cu 4.74747888162278 4.49199948525345 10.3675573603528 
Cu 8.16853146862278 2.49781268125344 10.2960466953528 
Cu 1.32626887162278 10.4744416492534 10.5815350433528 
Cu 4.74732145862278 8.48025484525344 10.5100243783528 
Cu 8.16837404562278 6.48606804125344 10.4385137133528 
Cu 1.32607692062278 3.03305356225345 20.9222724773528 
Cu 4.74712950762278 1.03886675825345 20.8507618123528 
Cu 8.16818209462278 -0.955320045746554 20.7792511473528 
Cu 1.32591949762278 7.02130892225344 21.0647394953528 
Cu 4.74697208462278 5.02712211825345 20.9932288303528 
Cu 8.16802467162278 3.03293531425345 20.9217181653528 
Cu 1.32576207462278 11.0095642822534 21.2072065133528 
Cu 4.74681466162278 9.01537747825344 21.1356958483528 
Cu 8.16786724862278 7.02119067425345 21.0641851833528 
Cu 1.32557012362278 3.56817619525344 31.5479439473528 
Cu 4.74662271062278 1.57398939125345 31.4764332823528 
Cu 8.16767529762278 -0.420197412746555 31.4049226173528 
Cu 1.32541270062278 7.55643155525344 31.6904109653528 
Cu 4.74646528762278 5.56224475125344 31.6189003003528 
Cu 8.16751787462278 3.56805794725344 31.5473896353528 
Cu 1.32525527762278 11.5446869152534 31.8328779833528 
Cu 4.74630786462278 9.55050011125344 31.7613673183528 
Cu 8.16736045162278 7.55631330725344 31.6898566533528 
Cu 2.09321536173833 0.236348071852701 4.91243462634592 
Cu 5.51426794873833 -1.7578387321473 4.84092396134592 
Cu 8.93532053573833 -3.7520255361473 4.76941329634592 
Cu 2.09305793873833 4.2246034318527 5.05490164434592 
Cu 5.51411052573833 2.2304166278527 4.98339097934592 
Cu 8.93516311273833 0.236229823852699 4.91188031434592 
Cu 2.09290051573833 8.2128587918527 5.19736866234592 
Cu 5.51395310273833 6.2186719878527 5.12585799734592 
Cu 8.93500568973833 4.2244851838527 5.05434733234592 
Cu 2.09270856473833 0.771470704852701 15.5381060963459 
Cu 5.51376115173833 -1.2227160991473 15.4665954313459 
Cu 8.93481373873833 -3.2169029031473 15.3950847663459 
Cu 2.09255114173833 4.7597260648527 15.6805731143459 
Cu 5.51360372873833 2.7655392608527 15.6090624493459 
Cu 8.93465631573833 0.771352456852701 15.5375517843459 
Cu 2.09239371873833 8.7479814248527 15.8230401323459 
Cu 5.51344630573833 6.7537946208527 15.7515294673459 
Cu 8.93449889273833 4.7596078168527 15.6800188023459 
Cu 2.09220176773833 1.3065933378527 26.1637775663459 
Cu 5.51325435473833 -0.6875934661473 26.0922669013459 
Cu 8.93430694173833 -2.6817802701473 26.0207562363459 
Cu 2.09204434473833 5.2948486978527 26.3062445843459 
Cu 5.51309693173833 3.3006618938527 26.2347339193459 
Cu 8.93414951873833 1.3064750898527 26.1632232543459 
Cu 2.09188692173833 9.2831040578527 26.4487116023459 
Cu 5.51293950873833 7.2889172538527 26.3772009373459 
Cu 8.93399209573833 5.2947304498527 26.3056902723459 
S 2.4358460793522 0.455193127989612 9.58711716569429 
S 5.8568986663522 -1.53899367601039 9.51560650069429 
S 9.27795125335219 -3.53318048001039 9.44409583569429 
S 2.4356886563522 4.44344848798961 9.72958418369429 
S 5.8567412433522 2.44926168398961 9.65807351869429 
S 9.27779383035219 0.455074879989612 9.58656285369429 
S 2.4355312333522 8.43170384798961 9.87205120169429 
S 5.8565838203522 6.43751704398961 9.80054053669429 
S 9.27763640735219 4.44333023998961 9.72902987169429 
S 2.4353392823522 0.990315760989612 20.2127886356943 
S 5.8563918693522 -1.00387104301039 20.1412779706943 
S 9.27744445635219 -2.99805784701039 20.0697673056943 
S 2.4351818593522 4.97857112098961 20.3552556536943 
S 5.85623444635219 2.98438431698961 20.2837449886943 
S 9.2772870333522 0.990197512989612 20.2122343236943 
S 2.4350244363522 8.96682648098961 20.4977226716943 
S 5.85607702335219 6.97263967698961 20.4262120066943 
S 9.27712961035219 4.97845287298961 20.3547013416943 
S 2.4348324853522 1.52543839398961 30.8384601056943 
S 5.8558850723522 -0.468748410010387 30.7669494406943 
S 9.27693765935219 -2.46293521401039 30.6954387756943 
S 2.4346750623522 5.51369375398961 30.9809271236943 
S 5.8557276493522 3.51950694998961 30.9094164586943 
S 9.2767802363522 1.52532014598961 30.8379057936943 
S 2.4345176393522 9.50194911398961 31.1233941416943 
S 5.85557022635219 7.50776230998961 31.0518834766943 
S 9.27662281335219 5.51357550598961 30.9803728116943 
S 0.983740156471031 2.18167838129348 4.34539124965353 
S 4.40479274347103 0.187491577293481 4.27388058465353 
S 7.82584533047103 -1.80669522670652 4.20236991965353 
S 0.983582733471031 6.16993374129348 4.48785826765353 
S 4.40463532047103 4.17574693729348 4.41634760265353 
S 7.82568790747103 2.18156013329348 4.34483693765353 
S 0.983425310471031 10.1581891012935 4.63032528565353 
S 4.40447789747103 8.16400229729348 4.55881462065353 
S 7.82553048447103 6.16981549329348 4.48730395565353 
S 0.983233359471031 2.71680101429348 14.9710627196535 
S 4.40428594647103 0.722614210293481 14.8995520546535 
S 7.82533853347103 -1.27157259370652 14.8280413896535 
S 0.983075936471031 6.70505637429348 15.1135297376535 
S 4.40412852347103 4.71086957029348 15.0420190726535 
S 7.82518111047103 2.71668276629348 14.9705084076535 
S 0.982918513471031 10.6933117342935 15.2559967556535 
S 4.40397110047103 8.69912493029348 15.1844860906535 
S 7.82502368747103 6.70493812629348 15.1129754256535 
S 0.982726562471032 3.25192364729348 25.5967341896535 
S 4.40377914947103 1.25773684329348 25.5252235246535 
S 7.82483173647103 -0.736449960706519 25.4537128596535 
S 0.982569139471032 7.24017900729348 25.7392012076535 
S 4.40362172647103 5.24599220329348 25.6676905426535 
S 7.82467431347103 3.25180539929348 25.5961798776535 
S 0.982411716471032 11.2284343672935 25.8816682256535 
S 4.40346430347103 9.23424756329348 25.8101575606535 
S 7.82451689047103 7.24006075929348 25.7386468956535 
C 0.889932163984402 2.45755965997839 2.62802927390661 
C 4.3109847509844 0.463372855978392 2.55651860890661 
C 7.7320373379844 -1.53081394802161 2.48500794390661 
C 0.889774740984402 6.44581501997839 2.77049629190661 
C 4.3108273279844 4.45162821597839 2.69898562690661 
C 7.7318799149844 2.45744141197839 2.62747496190661 
C 0.889617317984402 10.4340703799784 2.91296330990661 
C 4.3106699049844 8.43988357597839 2.84145264490661 
C 7.7317224919844 6.44569677197839 2.76994197990661 
C 0.889425366984402 2.99268229297839 13.2537007439066 
C 4.3104779539844 0.998495488978392 13.1821900789066 
C 7.7315305409844 -0.995691315021608 13.1106794139066 
C 0.889267943984402 6.98093765297839 13.3961677619066 
C 4.3103205309844 4.98675084897839 13.3246570969066 
C 7.7313731179844 2.99256404497839 13.2531464319066 
C 0.889110520984402 10.9691930129784 13.5386347799066 
C 4.3101631079844 8.97500620897839 13.4671241149066 
C 7.7312156949844 6.98081940497839 13.3956134499066 
C 0.888918569984402 3.52780492597839 23.8793722139066 
C 4.3099711569844 1.53361812197839 23.8078615489066 
C 7.7310237439844 -0.460568682021608 23.7363508839066 
C 0.888761146984402 7.51606028597839 24.0218392319066 
C 4.3098137339844 5.52187348197839 23.9503285669066 
C 7.7308663209844 3.52768667797839 23.8788179019066 
C 0.888603723984402 11.5043156459784 24.1643062499066 
C 4.3096563109844 9.51012884197839 24.0927955849066 
C 7.7307088979844 7.51594203797839 24.0212849199066 
C 2.53022610855744 0.731006923286996 7.86981333752369 
C 5.95127869555744 -1.263179880713 7.79830267252369 
C 9.37233128255744 -3.257366684713 7.72679200752369 
C 2.53006868555744 4.719262283287 8.01228035552369 
C 5.95112127255744 2.725075479287 7.94076969052369 
C 9.37217385955744 0.730888675286995 7.86925902552369 
C 2.52991126255744 8.70751764328699 8.15474737352369 
C 5.95096384955744 6.713330839287 8.08323670852369 
C 9.37201643655744 4.719144035287 8.01172604352369 
C 2.52971931155744 1.266129556287 18.4954848075237 
C 5.95077189855744 -0.728057247713003 18.4239741425237 
C 9.37182448555744 -2.722244051713 18.3524634775237 
C 2.52956188855744 5.254384916287 18.6379518255237 
C 5.95061447555744 3.260198112287 18.5664411605237 
C 9.37166706255744 1.266011308287 18.4949304955237 
C 2.52940446555744 9.24264027628699 18.7804188435237 
C 5.95045705255744 7.248453472287 18.7089081785237 
C 9.37150963955744 5.254266668287 18.6373975135237 
C 2.52921251455744 1.801252189287 29.1211562775237 
C 5.95026510155744 -0.192934614713003 29.0496456125237 
C 9.37131768855744 -2.187121418713 28.9781349475237 
C 2.52905509155744 5.78950754928699 29.2636232955237 
C 5.95010767855744 3.795320745287 29.1921126305237 
C 9.37116026555744 1.801133941287 29.1206019655237 
C 2.52889766855744 9.777762909287 29.4060903135237 
C 5.94995025555744 7.783576105287 29.3345796485237 
C 9.37100284255744 5.789389301287 29.2630689835237 
N 1.34943002201556 1.71584203820376 1.67108217350453 
N 4.77048260901556 -0.278344765796237 1.59957150850453 
N 8.19153519601556 -2.27253156979624 1.52806084350453 
N 1.34927259901556 5.70409739820376 1.81354919150453 
N 4.77032518601556 3.70991059420376 1.74203852650453 
N 8.19137777301556 1.71572379020376 1.67052786150453 
N 1.34911517601556 9.69235275820376 1.95601620950453 
N 4.77016776301556 7.69816595420376 1.88450554450453 
N 8.19122035001556 5.70397915020376 1.81299487950453 
N 1.34892322501556 2.25096467120376 12.2967536435045 
N 4.76997581201556 0.256777867203763 12.2252429785045 
N 8.19102839901556 -1.73740893679624 12.1537323135045 
N 1.34876580201556 6.23922003120376 12.4392206615045 
N 4.76981838901556 4.24503322720376 12.3677099965045 
N 8.19087097601556 2.25084642320376 12.2961993315045 
N 1.34860837901556 10.2274753912038 12.5816876795045 
N 4.76966096601556 8.23328858720376 12.5101770145045 
N 8.19071355301556 6.23910178320376 12.4386663495045 
N 1.34841642801556 2.78608730420376 22.9224251135045 
N 4.76946901501556 0.791900500203762 22.8509144485045 
N 8.19052160201556 -1.20228630379624 22.7794037835045 
N 1.34825900501556 6.77434266420376 23.0648921315045 
N 4.76931159201556 4.78015586020376 22.9933814665045 
N 8.19036417901556 2.78596905620376 22.9218708015045 
N 1.34810158201556 10.7625980242038 23.2073591495045 
N 4.76915416901556 8.76841122020376 23.1358484845045 
N 8.19020675601556 6.77422441620376 23.0643378195045 
N 2.07110715800287 -0.0109095726715143 6.91283028590126 
N 5.49215974500286 -2.00509637667151 6.84131962090126 
N 8.91321233200286 -3.99928318067151 6.76980895590126 
N 2.07094973500287 3.97734578732848 7.05529730390126 
N 5.49200232200287 1.98315898332849 6.98378663890126 
N 8.91305490900287 -0.0110278206715141 6.91227597390126 
N 2.07079231200287 7.96560114732848 7.19776432190126 
N 5.49184489900287 5.97141434332849 7.12625365690126 
N 8.91289748600287 3.97722753932849 7.05474299190126 
N 2.07060036100287 0.524213060328486 17.5385017559013 
N 5.49165294800286 -1.46997374367151 17.4669910909013 
N 8.91270553500287 -3.46416054767151 17.3954804259013 
N 2.07044293800287 4.51246842032848 17.6809687739013 
N 5.49149552500287 2.51828161632848 17.6094581089013 
N 8.91254811200287 0.524094812328484 17.5379474439013 
N 2.07028551500287 8.50072378032848 17.8234357919013 
N 5.49133810200287 6.50653697632849 17.7519251269013 
N 8.91239068900286 4.51235017232848 17.6804144619013 
N 2.07009356400287 1.05933569332849 28.1641732259013 
N 5.49114615100286 -0.934851110671514 28.0926625609013 
N 8.91219873800286 -2.92903791467151 28.0211518959013 
N 2.06993614100287 5.04759105332848 28.3066402439013 
N 5.49098872800287 3.05340424932848 28.2351295789013 
N 8.91204131500287 1.05921744532849 28.1636189139013 
N 2.06977871800287 9.03584641332848 28.4491072619013 
N 5.49083130500287 7.04165960932849 28.3775965969013 
N 8.91188389200286 5.04747280532848 28.3060859319013 
H 0.371972737496542 3.3796008738701 2.34839721353724 
H 3.79302532449654 1.3854140698701 2.27688654853724 
H 7.21407791149654 -0.608772734129895 2.20537588353724 
H 0.371815314496542 7.36785623387011 2.49086423153724 
H 3.79286790149654 5.37366942987011 2.41935356653724 
H 7.21392048849654 3.37948262587011 2.34784290153724 
H 0.371657891496542 11.3561115938701 2.63333124953724 
H 3.79271047849654 9.36192478987011 2.56182058453724 
H 7.21376306549654 7.3677379858701 2.49030991953724 
H 0.371465940496542 3.9147235068701 12.9740686835372 
H 3.79251852749654 1.9205367028701 12.9025580185372 
H 7.21357111449654 -0.0736501011298957 12.8310473535372 
H 0.371308517496542 7.90297886687011 13.1165357015372 
H 3.79236110449654 5.9087920628701 13.0450250365372 
H 7.21341369149654 3.9146052588701 12.9735143715372 
H 0.371151094496542 11.8912342268701 13.2590027195372 
H 3.79220368149654 9.89704742287011 13.1874920545372 
H 7.21325626849654 7.9028606188701 13.1159813895372 
H 0.370959143496542 4.4498461398701 23.5997401535372 
H 3.79201173049654 2.4556593358701 23.5282294885372 
H 7.21306431749654 0.461472531870104 23.4567188235372 
H 0.370801720496542 8.4381014998701 23.7422071715372 
H 3.79185430749654 6.44391469587011 23.6706965065372 
H 7.21290689449654 4.44972789187011 23.5991858415372 
H 0.370644297496542 12.4263568598701 23.8846741895372 
H 3.79169688449654 10.4321700558701 23.8131635245372 
H 7.21274947149654 8.4379832518701 23.7416528595372 
H 1.81306410141358 0.876435449498827 2.04100481685737 
H 5.23411668841358 -1.11775135450117 1.96949415185737 
H 8.65516927541358 -3.11193815850117 1.89798348685737 
H 1.81290667841358 4.86469080949883 2.18347183485737 
H 5.23395926541358 2.87050400549883 2.11196116985737 
H 8.65501185241358 0.876317201498829 2.04045050485737 
H 1.81274925541358 8.85294616949883 2.32593885285737 
H 5.23380184241358 6.85875936549883 2.25442818785737 
H 8.65485442941358 4.86457256149883 2.18291752285737 
H 1.81255730441358 1.41155808249883 12.6666762868574 
H 5.23360989141358 -0.582628721501173 12.5951656218574 
H 8.65466247841358 -2.57681552550117 12.5236549568574 
H 1.81239988141358 5.39981344249883 12.8091433048574 
H 5.23345246841358 3.40562663849883 12.7376326398574 
H 8.65450505541359 1.41143983449883 12.6661219748574 
H 1.81224245841358 9.38806880249883 12.9516103228574 
H 5.23329504541358 7.39388199849883 12.8800996578574 
H 8.65434763241358 5.39969519449883 12.8085889928574 
H 1.81205050741358 1.94668071549883 23.2923477568574 
H 5.23310309441358 -0.0475060885011718 23.2208370918574 
H 8.65415568141358 -2.04169289250117 23.1493264268574 
H 1.81189308441358 5.93493607549883 23.4348147748574 
H 5.23294567141358 3.94074927149883 23.3633041098574 
H 8.65399825841358 1.94656246749883 23.2917934448574 
H 1.81173566141358 9.92319143549883 23.5772817928574 
H 5.23278824841358 7.92900463149883 23.5057711278574 
H 8.65384083541358 5.93481782749883 23.4342604628574 
H 3.04831382883637 1.65304189797062 7.59034615172159 
H 6.46936641583637 -0.341144906029384 7.51883548672159 
H 9.89041900283637 -2.33533171002938 7.44732482172159 
H 3.04815640583637 5.64129725797061 7.73281316972159 
H 6.46920899283637 3.64711045397062 7.66130250472159 
H 9.89026157983637 1.65292364997062 7.58979183972159 
H 3.04799898283637 9.62955261797061 7.87528018772159 
H 6.46905156983637 7.63536581397061 7.80376952272159 
H 9.89010415683637 5.64117900997062 7.73225885772159 
H 3.04780703183637 2.18816453097061 18.2160176217216 
H 6.46885961883637 0.193977726970615 18.1445069567216 
H 9.88991220583637 -1.80020907702938 18.0729962917216 
H 3.04764960883637 6.17641989097062 18.3584846397216 
H 6.46870219583637 4.18223308697062 18.2869739747216 
H 9.88975478283637 2.18804628297062 18.2154633097216 
H 3.04749218583637 10.1646752509706 18.5009516577216 
H 6.46854477283637 8.17048844697061 18.4294409927216 
H 9.88959735983637 6.17630164297062 18.3579303277216 
H 3.04730023483637 2.72328716397061 28.8416890917216 
H 6.46835282183637 0.729100359970616 28.7701784267216 
H 9.88940540883637 -1.26508644402938 28.6986677617216 
H 3.04714281183637 6.71154252397061 28.9841561097216 
H 6.46819539883637 4.71735571997062 28.9126454447216 
H 9.88924798583637 2.72316891597062 28.8411347797216 
H 3.04698538883637 10.6997978839706 29.1266231277216 
H 6.46803797583637 8.70561107997061 29.0551124627216 
H 9.88909056283637 6.71142427597062 28.9836017977216 
H 1.60723846503498 3.13801723485335 7.42543044748067 
H 5.02829105203498 1.14383043085335 7.35391978248067 
H 8.44934363903498 -0.850356373146653 7.28240911748067 
H 1.60708104203498 7.12627259485335 7.56789746548067 
H 5.02813362903498 5.13208579085335 7.49638680048067 
H 8.44918621603498 3.13789898685335 7.42487613548067 
H 1.60692361903498 11.1145279548533 7.71036448348067 
H 5.02797620603498 9.12034115085335 7.63885381848067 
H 8.44902879303498 7.12615434685335 7.56734315348067 
H 1.60673166803498 3.67313986785335 18.0511019174807 
H 5.02778425503498 1.67895306385335 17.9795912524807 
H 8.44883684203498 -0.315233740146653 17.9080805874807 
H 1.60657424503498 7.66139522785335 18.1935689354807 
H 5.02762683203498 5.66720842385335 18.1220582704807 
H 8.44867941903498 3.67302161985335 18.0505476054807 
H 1.60641682203498 11.6496505878533 18.3360359534807 
H 5.02746940903498 9.65546378385335 18.2645252884807 
H 8.44852199603498 7.66127697985335 18.1930146234807 
H 1.60622487103498 4.20826250085335 28.6767733874807 
H 5.02727745803498 2.21407569685335 28.6052627224807 
H 8.44833004503498 0.219888892853348 28.5337520574807 
H 1.60606744803498 8.19651786085335 28.8192404054807 
H 5.02712003503498 6.20233105685335 28.7477297404807 
H 8.44817262203498 4.20814425285335 28.6762190754807 
H 1.60591002503498 12.1847732208533 28.9617074234807 
H 5.02696261203498 10.1905864168533 28.8901967584807 
H 8.44801519903498 8.19639961285334 28.8186860934807 
648 
gamma-CuSCNH2 (3x3x3 supercell)
Cu 1.0843015789267 3.08265260045422 10.2741538096342 
Cu 8.1853554679267 3.08292164845422 10.2735276266342 
Cu 15.2864093569267 3.08319069645422 10.2729014436342 
Cu 1.0846198179267 8.38193605245422 11.2139646166342 
Cu 8.1856737069267 8.38220510045422 11.2133384336342 
Cu 15.2867275959267 8.38247414845422 11.2127122506342 
Cu 1.0849380569267 13.6812195044542 12.1537754236342 
Cu 8.1859919459267 13.6814885524542 12.1531492406342 
Cu 15.2870458349267 13.6817576004542 12.1525230576342 
Cu 1.0846179029267 5.71815982245422 20.9393660556342 
Cu 8.1856717919267 5.71842887045422 20.9387398726342 
Cu 15.2867256809267 5.71869791845422 20.9381136896342 
Cu 1.0849361419267 11.0174432744542 21.8791768626342 
Cu 8.1859900309267 11.0177123224542 21.8785506796342 
Cu 15.2870439199267 11.0179813704542 21.8779244966342 
Cu 1.0852543809267 16.3167267264542 22.8189876696342 
Cu 8.1863082699267 16.3169957744542 22.8183614866342 
Cu 15.2873621589267 16.3172648224542 22.8177353036342 
Cu 1.0849342269267 8.35366704445422 31.6045783016342 
Cu 8.1859881159267 8.35393609245422 31.6039521186342 
Cu 15.2870420049267 8.35420514045422 31.6033259356342 
Cu 1.0852524659267 13.6529504964542 32.5443891086342 
Cu 8.1863063549267 13.6532195444542 32.5437629256342 
Cu 15.2873602439267 13.6534885924542 32.5431367426342 
Cu 1.0855707049267 18.9522339484542 33.4841999156342 
Cu 8.1866245939267 18.9525029964542 33.4835737326342 
Cu 15.2876784829267 18.9527720444542 33.4829475496342 
Cu 4.6661559518161 2.73581211179462 10.6051241330003 
Cu 11.7672098408161 2.73608115979462 10.6044979500003 
Cu 18.8682637298161 2.73635020779462 10.6038717670003 
Cu 4.6664741908161 8.03509556379462 11.5449349400003 
Cu 11.7675280798161 8.03536461179462 11.5443087570003 
Cu 18.8685819688161 8.03563365979462 11.5436825740003 
Cu 4.6667924298161 13.3343790157946 12.4847457470003 
Cu 11.7678463188161 13.3346480637946 12.4841195640003 
Cu 18.8689002078161 13.3349171117946 12.4834933810003 
Cu 4.6664722758161 5.37131933379463 21.2703363790003 
Cu 11.7675261648161 5.37158838179463 21.2697101960003 
Cu 18.8685800538161 5.37185742979463 21.2690840130003 
Cu 4.6667905148161 10.6706027857946 22.2101471860003 
Cu 11.7678444038161 10.6708718337946 22.2095210030003 
Cu 18.8688982928161 10.6711408817946 22.2088948200003 
Cu 4.6671087538161 15.9698862377946 23.1499579930003 
Cu 11.7681626428161 15.9701552857946 23.1493318100003 
Cu 18.8692165318161 15.9704243337946 23.1487056270003 
Cu 4.6667885998161 8.00682655579462 31.9355486250003 
Cu 11.7678424888161 8.00709560379462 31.9349224420003 
Cu 18.8688963778161 8.00736465179462 31.9342962590003 
Cu 4.6671068388161 13.3061100077946 32.8753594320003 
Cu 11.7681607278161 13.3063790557946 32.8747332490003 
Cu 18.8692146168161 13.3066481037946 32.8741070660003 
Cu 4.6674250778161 18.6053934597946 33.8151702390003 
Cu 11.7684789668161 18.6056625077946 33.8145440560003 
Cu 18.8695328558161 18.6059315557946 33.8139178730003 
Cu 2.43504160731395 1.41803706608937 5.27320992724048 
Cu 9.53609549631395 1.41830611408937 5.27258374424048 
Cu 16.637149385314 1.41857516208937 5.27195756124048 
Cu 2.43535984631395 6.71732051808937 6.21302073424048 
Cu 9.53641373531395 6.71758956608937 6.21239455124048 
Cu 16.6374676243139 6.71785861408937 6.21176836824048 
Cu 2.43567808531395 12.0166039700894 7.15283154124048 
Cu 9.53673197431395 12.0168730180894 7.15220535824048 
Cu 16.6377858633139 12.0171420660894 7.15157917524048 
Cu 2.43535793131395 4.05354428808937 15.9384221732405 
Cu 9.53641182031395 4.05381333608937 15.9377959902405 
Cu 16.637465709314 4.05408238408937 15.9371698072405 
Cu 2.43567617031395 9.35282774008937 16.8782329802405 
Cu 9.53673005931395 9.35309678808937 16.8776067972405 
Cu 16.6377839483139 9.35336583608937 16.8769806142405 
Cu 2.43599440931395 14.6521111920894 17.8180437872405 
Cu 9.53704829831395 14.6523802400894 17.8174176042405 
Cu 16.6381021873139 14.6526492880894 17.8167914212405 
Cu 2.43567425531395 6.68905151008937 26.6036344192405 
Cu 9.53672814431395 6.68932055808937 26.6030082362405 
Cu 16.6377820333139 6.68958960608937 26.6023820532405 
Cu 2.43599249431395 11.9883349620894 27.5434452262405 
Cu 9.53704638331395 11.9886040100894 27.5428190432405 
Cu 16.6381002723139 11.9888730580894 27.5421928602405 
Cu 2.43631073331395 17.2876184140894 28.4832560332405 
Cu 9.53736462231395 17.2878874620894 28.4826298502405 
Cu 16.6384185113139 17.2881565100894 28.4820036672405 
Cu 6.01690744970323 1.7657757759253 4.9412184857293 
Cu 13.1179613387032 1.7660448239253 4.9405923027293 
Cu 20.2190152277032 1.7663138719253 4.9399661197293 
Cu 6.01722568870323 7.0650592279253 5.8810292927293 
Cu 13.1182795777032 7.0653282759253 5.8804031097293 
Cu 20.2193334667032 7.06559732392529 5.8797769267293 
Cu 6.01754392770323 12.3643426799253 6.8208400997293 
Cu 13.1185978167032 12.3646117279253 6.8202139167293 
Cu 20.2196517057032 12.3648807759253 6.8195877337293 
Cu 6.01722377370323 4.4012829979253 15.6064307317293 
Cu 13.1182776627032 4.4015520459253 15.6058045487293 
Cu 20.2193315517032 4.4018210939253 15.6051783657293 
Cu 6.01754201270323 9.70056644992529 16.5462415387293 
Cu 13.1185959017032 9.7008354979253 16.5456153557293 
Cu 20.2196497907032 9.7011045459253 16.5449891727293 
Cu 6.01786025170323 14.9998499019253 17.4860523457293 
Cu 13.1189141407032 15.0001189499253 17.4854261627293 
Cu 20.2199680297032 15.0003879979253 17.4847999797293 
Cu 6.01754009770323 7.0367902199253 26.2716429777293 
Cu 13.1185939867032 7.0370592679253 26.2710167947293 
Cu 20.2196478757032 7.0373283159253 26.2703906117293 
Cu 6.01785833670323 12.3360736719253 27.2114537847293 
Cu 13.1189122257032 12.3363427199253 27.2108276017293 
Cu 20.2199661147032 12.3366117679253 27.2102014187293 
Cu 6.01817657570323 17.6353571239253 28.1512645917293 
Cu 13.1192304647032 17.6356261719253 28.1506384087293 
Cu 20.2202843537032 17.6358952199253 28.1500122257293 
S 2.79323774670109 7.01579250922479 10.822520253849 
S 9.89429163570109 7.01606155722479 10.821894070849 
S 16.9953455247011 7.01633060522479 10.821267887849 
S 2.79355598570109 12.3150759612248 11.762331060849 
S 9.89460987470109 12.3153450092248 11.761704877849 
S 16.9956637637011 12.3156140572248 11.761078694849 
S 2.79387422470109 17.6143594132248 12.702141867849 
S 9.89492811370109 17.6146284612248 12.701515684849 
S 16.9959820027011 17.6148975092248 12.700889501849 
S 2.79355407070109 9.65129973122479 21.487732499849 
S 9.89460795970109 9.65156877922479 21.487106316849 
S 16.9956618487011 9.65183782722479 21.486480133849 
S 2.79387230970109 14.9505831832248 22.427543306849 
S 9.89492619870109 14.9508522312248 22.426917123849 
S 16.9959800877011 14.9511212792248 22.426290940849 
S 2.79419054870109 20.2498666352248 23.367354113849 
S 9.89524443770109 20.2501356832248 23.366727930849 
S 16.9962983267011 20.2504047312248 23.366101747849 
S 2.79387039470109 12.2868069532248 32.152944745849 
S 9.89492428370109 12.2870760012248 32.152318562849 
S 16.9959781727011 12.2873450492248 32.151692379849 
S 2.79418863370109 17.5860904052248 33.092755552849 
S 9.89524252270109 17.5863594532248 33.092129369849 
S 16.9962964117011 17.5866285012248 33.091503186849 
S 2.79450687270109 22.8853738572248 34.032566359849 
S 9.89556076170109 22.8856429052248 34.031940176849 
S 16.9966146507011 22.8859119532248 34.031313993849 
S 6.25297277326012 3.52497598366366 9.224693620921 
S 13.3540266622601 3.52524503166366 9.224067437921 
S 20.4550805512601 3.52551407966366 9.223441254921 
S 6.25329101226012 8.82425943566366 10.164504427921 
S 13.3543449012601 8.82452848366366 10.163878244921 
S 20.4553987902601 8.82479753166366 10.163252061921 
S 6.25360925126012 14.1235428876637 11.104315234921 
S 13.3546631402601 14.1238119356637 11.103689051921 
S 20.4557170292601 14.1240809836637 11.103062868921 
S 6.25328909726012 6.16048320566366 19.889905866921 
S 13.3543429862601 6.16075225366366 19.889279683921 
S 20.4553968752601 6.16102130166366 19.888653500921 
S 6.25360733626012 11.4597666576637 20.829716673921 
S 13.3546612252601 11.4600357056637 20.829090490921 
S 20.4557151142601 11.4603047536637 20.828464307921 
S 6.25392557526012 16.7590501096637 21.769527480921 
S 13.3549794642601 16.7593191576637 21.768901297921 
S 20.4560333532601 16.7595882056637 21.768275114921 
S 6.25360542126012 8.79599042766366 30.555118112921 
S 13.3546593102601 8.79625947566366 30.554491929921 
S 20.4557131992601 8.79652852366366 30.553865746921 
S 6.25392366026012 14.0952738796637 31.494928919921 
S 13.3549775492601 14.0955429276637 31.494302736921 
S 20.4560314382601 14.0958119756637 31.493676553921 
S 6.25424189926012 19.3945573316637 32.434739726921 
S 13.3552957882601 19.3948263796637 32.434113543921 
S 20.4563496772601 19.3950954276637 32.433487360921 
S 0.84819304380881 2.20717724262147 3.89236549741086 
S 7.94924693280881 2.20744629062147 3.89173931441086 
S 15.0503008218088 2.20771533862147 3.89111313141086 
S 0.848511282808812 7.50646069462147 4.83217630441086 
S 7.94956517180881 7.50672974262147 4.83155012141086 
S 15.0506190608088 7.50699879062147 4.83092393841086 
S 0.848829521808812 12.8057441466215 5.77198711141086 
S 7.94988341080881 12.8060131946215 5.77136092841086 
S 15.0509372998088 12.8062822426215 5.77073474541086 
S 0.848509367808812 4.84268446462147 14.5575777434109 
S 7.94956325680881 4.84295351262147 14.5569515604109 
S 15.0506171458088 4.84322256062147 14.5563253774109 
S 0.848827606808812 10.1419679166215 15.4973885504109 
S 7.94988149580881 10.1422369646215 15.4967623674109 
S 15.0509353848088 10.1425060126215 15.4961361844109 
S 0.849145845808812 15.4412513686215 16.4371993574109 
S 7.95019973480881 15.4415204166215 16.4365731744109 
S 15.0512536238088 15.4417894646215 16.4359469914109 
S 0.84882569180881 7.47819168662147 25.2227899894108 
S 7.94987958080881 7.47846073462147 25.2221638064109 
S 15.0509334698088 7.47872978262147 25.2215376234109 
S 0.849143930808812 12.7774751386215 26.1626007964108 
S 7.95019781980881 12.7777441866215 26.1619746134109 
S 15.0512517088088 12.7780132346215 26.1613484304109 
S 0.849462169808812 18.0767585906215 27.1024116034109 
S 7.95051605880881 18.0770276386215 27.1017854204108 
S 15.0515699478088 18.0772966866215 27.1011592374109 
S 4.30869669428542 5.69875016297327 5.48929508276659 
S 11.4097505832854 5.69901921097327 5.48866889976659 
S 18.5108044722854 5.69928825897327 5.48804271676659 
S 4.30901493328542 10.9980336149733 6.42910588976659 
S 11.4100688222854 10.9983026629733 6.42847970676659 
S 18.5111227112854 10.9985717109733 6.42785352376659 
S 4.30933317228542 16.2973170669733 7.36891669676659 
S 11.4103870612854 16.2975861149733 7.36829051376659 
S 18.5114409502854 16.2978551629733 7.36766433076659 
S 4.30901301828542 8.33425738497327 16.1545073287666 
S 11.4100669072854 8.33452643297327 16.1538811457666 
S 18.5111207962854 8.33479548097327 16.1532549627666 
S 4.30933125728542 13.6335408369733 17.0943181357666 
S 11.4103851462854 13.6338098849733 17.0936919527666 
S 18.5114390352854 13.6340789329733 17.0930657697666 
S 4.30964949628542 18.9328242889733 18.0341289427666 
S 11.4107033852854 18.9330933369733 18.0335027597666 
S 18.5117572742854 18.9333623849733 18.0328765767666 
S 4.30932934228542 10.9697646069733 26.8197195747666 
S 11.4103832312854 10.9700336549733 26.8190933917666 
S 18.5114371202854 10.9703027029733 26.8184672087666 
S 4.30964758128542 16.2690480589733 27.7595303817666 
S 11.4107014702854 16.2693171069733 27.7589041987666 
S 18.5117553592854 16.2695861549733 27.7582780157666 
S 4.30996582028542 21.5683315109733 28.6993411887666 
S 11.4110197092854 21.5686005589733 28.6987150057666 
S 18.5120735982854 21.5688696069733 28.6980888227666 
C 0.881936585929354 1.13048302491459 2.50411157838825 
C 7.98299047492935 1.13075207291459 2.50348539538825 
C 15.0840443639294 1.13102112091459 2.50285921238825 
C 0.882254824929354 6.42976647691459 3.44392238538825 
C 7.98330871392935 6.43003552491459 3.44329620238825 
C 15.0843626029293 6.43030457291459 3.44267001938825 
C 0.882573063929354 11.7290499289146 4.38373319238825 
C 7.98362695292935 11.7293189769146 4.38310700938825 
C 15.0846808419294 11.7295880249146 4.38248082638825 
C 0.882252909929354 3.76599024691459 13.1693238243883 
C 7.98330679892935 3.76625929491459 13.1686976413883 
C 15.0843606879294 3.76652834291459 13.1680714583883 
C 0.882571148929354 9.06527369891459 14.1091346313883 
C 7.98362503792935 9.06554274691459 14.1085084483883 
C 15.0846789269294 9.06581179491459 14.1078822653883 
C 0.882889387929354 14.3645571509146 15.0489454383883 
C 7.98394327692935 14.3648261989146 15.0483192553883 
C 15.0849971659294 14.3650952469146 15.0476930723883 
C 0.882569233929354 6.40149746891459 23.8345360703882 
C 7.98362312292935 6.40176651691458 23.8339098873882 
C 15.0846770119294 6.40203556491459 23.8332837043882 
C 0.882887472929354 11.7007809209146 24.7743468773882 
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H 15.6140060603596 5.11171525673346 11.8678101545265 
H 1.41221652135962 10.4104606127335 12.8088733275265 
H 8.51327041035962 10.4107296607335 12.8082471445265 
H 15.6143242993596 10.4109987087335 12.8076209615265 
H 1.41253476035962 15.7097440647335 13.7486841345265 
H 8.51358864935962 15.7100131127335 13.7480579515265 
H 15.6146425383596 15.7102821607335 13.7474317685265 
H 1.41221460635962 7.74668438273346 22.5342747665265 
H 8.51326849535962 7.74695343073345 22.5336485835265 
H 15.6143223843596 7.74722247873346 22.5330224005265 
H 1.41253284535962 13.0459678347335 23.4740855735265 
H 8.51358673435962 13.0462368827335 23.4734593905265 
H 15.6146406233596 13.0465059307335 23.4728332075265 
H 1.41285108435962 18.3452512867335 24.4138963805265 
H 8.51390497335962 18.3455203347335 24.4132701975265 
H 15.6149588623596 18.3457893827335 24.4126440145265 
H 5.45071724777051 1.20896541635141 2.17280684610627 
H 12.5517711367705 1.20923446435141 2.17218066310627 
H 19.6528250257705 1.20950351235141 2.17155448010626 
H 5.45103548677051 6.50824886835141 3.11261765310627 
H 12.5520893757705 6.50851791635141 3.11199147010627 
H 19.6531432647705 6.50878696435141 3.11136528710627 
H 5.45135372577051 11.8075323203514 4.05242846010627 
H 12.5524076147705 11.8078013683514 4.05180227710626 
H 19.6534615037705 11.8080704163514 4.05117609410627 
H 5.45103357177051 3.84447263835141 12.8380190921063 
H 12.5520874607705 3.84474168635141 12.8373929091063 
H 19.6531413497705 3.84501073435141 12.8367667261063 
H 5.45135181077051 9.14375609035141 13.7778298991063 
H 12.5524056997705 9.14402513835141 13.7772037161063 
H 19.6534595887705 9.14429418635141 13.7765775331063 
H 5.45167004977051 14.4430395423514 14.7176407061063 
H 12.5527239387705 14.4433085903514 14.7170145231063 
H 19.6537778277705 14.4435776383514 14.7163883401063 
H 5.45134989577051 6.47997986035141 23.5032313381063 
H 12.5524037847705 6.48024890835141 23.5026051551063 
H 19.6534576737705 6.48051795635141 23.5019789721063 
H 5.45166813477051 11.7792633123514 24.4430421451063 
H 12.5527220237705 11.7795323603514 24.4424159621063 
H 19.6537759127705 11.7798014083514 24.4417897791063 
H 5.45198637377051 17.0785467643514 25.3828529521063 
H 12.5530402627705 17.0788158123514 25.3822267691063 
H 19.6540941517705 17.0790848603514 25.3816005861063 
H 1.65051457053092 2.52606758254788 7.50617680766555 
H 8.75156845953092 2.52633663054788 7.50555062466555 
H 15.8526223485309 2.52660567854788 7.50492444166555 
H 1.65083280953093 7.82535103454788 8.44598761466555 
H 8.75188669853092 7.82562008254788 8.44536143166555 
H 15.8529405875309 7.82588913054788 8.44473524866555 
H 1.65115104853093 13.1246344865479 9.38579842166555 
H 8.75220493753092 13.1249035345479 9.38517223866555 
H 15.8532588265309 13.1251725825479 9.38454605566555 
H 1.65083089453092 5.16157480454789 18.1713890536656 
H 8.75188478353092 5.16184385254788 18.1707628706655 
H 15.8529386725309 5.16211290054788 18.1701366876656 
H 1.65114913353092 10.4608582565479 19.1111998606655 
H 8.75220302253092 10.4611273045479 19.1105736776656 
H 15.8532569115309 10.4613963525479 19.1099474946656 
H 1.65146737253092 15.7601417085479 20.0510106676656 
H 8.75252126153093 15.7604107565479 20.0503844846656 
H 15.8535751505309 15.7606798045479 20.0497583016656 
H 1.65114721853092 7.79708202654788 28.8366012996655 
H 8.75220110753092 7.79735107454788 28.8359751166655 
H 15.8532549965309 7.79762012254788 28.8353489336655 
H 1.65146545753093 13.0963654785479 29.7764121066655 
H 8.75251934653092 13.0966345265479 29.7757859236655 
H 15.8535732355309 13.0969035745479 29.7751597406655 
H 1.65178369653093 18.3956489305479 30.7162229136656 
H 8.75283758553092 18.3959179785479 30.7155967306655 
H 15.8538914745309 18.3961870265479 30.7149705476655 
H 5.68960487606677 3.79404625582481 6.53598876008959 
H 12.7906587650668 3.79431530382481 6.53536257708959 
H 19.8917126540668 3.79458435182481 6.53473639408959 
H 5.68992311506677 9.09332970782481 7.47579956708959 
H 12.7909770040668 9.09359875582481 7.47517338408959 
H 19.8920308930668 9.09386780382481 7.47454720108959 
H 5.69024135406677 14.3926131598248 8.41561037408959 
H 12.7912952430668 14.3928822078248 8.41498419108959 
H 19.8923491320668 14.3931512558248 8.41435800808959 
H 5.68992120006677 6.42955347782481 17.2012010060896 
H 12.7909750890668 6.42982252582481 17.2005748230896 
H 19.8920289780668 6.43009157382481 17.1999486400896 
H 5.69023943906677 11.7288369298248 18.1410118130896 
H 12.7912933280668 11.7291059778248 18.1403856300896 
H 19.8923472170668 11.7293750258248 18.1397594470896 
H 5.69055767806677 17.0281203818248 19.0808226200896 
H 12.7916115670668 17.0283894298248 19.0801964370896 
H 19.8926654560668 17.0286584778248 19.0795702540896 
H 5.69023752406677 9.06506069982481 27.8664132520896 
H 12.7912914130668 9.06532974782481 27.8657870690896 
H 19.8923453020668 9.06559879582481 27.8651608860896 
H 5.69055576306677 14.3643441518248 28.8062240590896 
H 12.7916096520668 14.3646131998248 28.8055978760896 
H 19.8926635410668 14.3648822478248 28.8049716930896 
H 5.69087400206677 19.6636276038248 29.7460348660896 
H 12.7919278910668 19.6638966518248 29.7454086830896 
H 19.8929817800668 19.6641656998248 29.7447825000896 
648 
delta-CuSCNH2 (3x3x3 supercell)
Cu 7.80171785625951 0 11.4061637620964 
Cu 17.1738320812595 0 13.3284622380964 
Cu 26.5459463062595 0 15.2507607140964 
Cu 7.80171785625951 4.00727916 11.4061637620964 
Cu 17.1738320812595 4.00727916 13.3284622380964 
Cu 26.5459463062595 4.00727916 15.2507607140964 
Cu 7.80171785625951 8.01455832 11.4061637620964 
Cu 17.1738320812595 8.01455832 13.3284622380964 
Cu 26.5459463062595 8.01455832 15.2507607140964 
Cu 10.9636001452595 0 22.0952862080964 
Cu 20.3357143702595 0 24.0175846840964 
Cu 29.7078285952595 0 25.9398831600964 
Cu 10.9636001452595 4.00727916 22.0952862080964 
Cu 20.3357143702595 4.00727916 24.0175846840964 
Cu 29.7078285952595 4.00727916 25.9398831600964 
Cu 10.9636001452595 8.01455832 22.0952862080964 
Cu 20.3357143702595 8.01455832 24.0175846840964 
Cu 29.7078285952595 8.01455832 25.9398831600964 
Cu 14.1254824342595 0 32.7844086540964 
Cu 23.4975966592595 0 34.7067071300964 
Cu 32.8697108842595 0 36.6290056060964 
Cu 14.1254824342595 4.00727916 32.7844086540964 
Cu 23.4975966592595 4.00727916 34.7067071300964 
Cu 32.8697108842595 4.00727916 36.6290056060964 
Cu 14.1254824342595 8.01455832 32.7844086540964 
Cu 23.4975966592595 8.01455832 34.7067071300964 
Cu 32.8697108842595 8.01455832 36.6290056060964 
Cu 6.21749171355389 2.00363953992721 6.06227058367681 
Cu 15.5896059385539 2.00363953992721 7.98456905967681 
Cu 24.9617201635539 2.00363953992721 9.90686753567681 
Cu 6.21749171355389 6.01091869992721 6.06227058367681 
Cu 15.5896059385539 6.01091869992721 7.98456905967681 
Cu 24.9617201635539 6.01091869992721 9.90686753567681 
Cu 6.21749171355389 10.0181978599272 6.06227058367681 
Cu 15.5896059385539 10.0181978599272 7.98456905967681 
Cu 24.9617201635539 10.0181978599272 9.90686753567681 
Cu 9.37937400255389 2.00363953992721 16.7513930296768 
Cu 18.7514882275539 2.00363953992721 18.6736915056768 
Cu 28.1236024525539 2.00363953992721 20.5959899816768 
Cu 9.37937400255389 6.01091869992721 16.7513930296768 
Cu 18.7514882275539 6.01091869992721 18.6736915056768 
Cu 28.1236024525539 6.01091869992721 20.5959899816768 
Cu 9.37937400255389 10.0181978599272 16.7513930296768 
Cu 18.7514882275539 10.0181978599272 18.6736915056768 
Cu 28.1236024525539 10.0181978599272 20.5959899816768 
Cu 12.5412562915539 2.00363953992721 27.4405154756768 
Cu 21.9133705165539 2.00363953992721 29.3628139516768 
Cu 31.2854847415539 2.00363953992721 31.2851124276768 
Cu 12.5412562915539 6.01091869992721 27.4405154756768 
Cu 21.9133705165539 6.01091869992721 29.3628139516768 
Cu 31.2854847415539 6.01091869992721 31.2851124276768 
Cu 12.5412562915539 10.0181978599272 27.4405154756768 
Cu 21.9133705165539 10.0181978599272 29.3628139516768 
Cu 31.2854847415539 10.0181978599272 31.2851124276768 
Cu 3.10734944553812 2.00363958 10.4465668962036 
Cu 12.4794636705381 2.00363958 12.3688653722036 
Cu 21.8515778955381 2.00363958 14.2911638482036 
Cu 3.10734944553812 6.01091874 10.4465668962036 
Cu 12.4794636705381 6.01091874 12.3688653722036 
Cu 21.8515778955381 6.01091874 14.2911638482036 
Cu 3.10734944553812 10.0181979 10.4465668962036 
Cu 12.4794636705381 10.0181979 12.3688653722036 
Cu 21.8515778955381 10.0181979 14.2911638482036 
Cu 6.26923173453812 2.00363958 21.1356893422036 
Cu 15.6413459595381 2.00363958 23.0579878182036 
Cu 25.0134601845381 2.00363958 24.9802862942036 
Cu 6.26923173453812 6.01091874 21.1356893422036 
Cu 15.6413459595381 6.01091874 23.0579878182036 
Cu 25.0134601845381 6.01091874 24.9802862942036 
Cu 6.26923173453812 10.0181979 21.1356893422036 
Cu 15.6413459595381 10.0181979 23.0579878182036 
Cu 25.0134601845381 10.0181979 24.9802862942036 
Cu 9.43111402353812 2.00363958 31.8248117882036 
Cu 18.8032282485381 2.00363958 33.7471102642036 
Cu 28.1753424735381 2.00363958 35.6694087402036 
Cu 9.43111402353812 6.01091874 31.8248117882036 
Cu 18.8032282485381 6.01091874 33.7471102642036 
Cu 28.1753424735381 6.01091874 35.6694087402036 
Cu 9.43111402353812 10.0181979 31.8248117882036 
Cu 18.8032282485381 10.0181979 33.7471102642036 
Cu 28.1753424735381 10.0181979 35.6694087402036 
Cu 1.53279707480237 0 5.10034223056189 
Cu 10.9049112998024 0 7.02264070656189 
Cu 20.2770255248024 0 8.94493918256189 
Cu 1.53279707480237 4.00727916 5.10034223056189 
Cu 10.9049112998024 4.00727916 7.02264070656189 
Cu 20.2770255248024 4.00727916 8.94493918256189 
Cu 1.53279707480237 8.01455832 5.10034223056189 
Cu 10.9049112998024 8.01455832 7.02264070656189 
Cu 20.2770255248024 8.01455832 8.94493918256189 
Cu 4.69467936380237 0 15.7894646765619 
Cu 14.0667935888024 0 17.7117631525619 
Cu 23.4389078138024 0 19.6340616285619 
Cu 4.69467936380237 4.00727916 15.7894646765619 
Cu 14.0667935888024 4.00727916 17.7117631525619 
Cu 23.4389078138024 4.00727916 19.6340616285619 
Cu 4.69467936380237 8.01455832 15.7894646765619 
Cu 14.0667935888024 8.01455832 17.7117631525619 
Cu 23.4389078138024 8.01455832 19.6340616285619 
Cu 7.85656165280237 0 26.4785871225619 
Cu 17.2286758778024 0 28.4008855985619 
Cu 26.6007901028024 0 30.3231840745619 
Cu 7.85656165280237 4.00727916 26.4785871225619 
Cu 17.2286758778024 4.00727916 28.4008855985619 
Cu 26.6007901028024 4.00727916 30.3231840745619 
Cu 7.85656165280237 8.01455832 26.4785871225619 
Cu 17.2286758778024 8.01455832 28.4008855985619 
Cu 26.6007901028024 8.01455832 30.3231840745619 
S 7.5713829066674 2.00363953992721 10.4770296873069 
S 16.9434971316674 2.00363953992721 12.3993281633069 
S 26.3156113566674 2.00363953992721 14.3216266393069 
S 7.5713829066674 6.01091869992721 10.4770296873069 
S 16.9434971316674 6.01091869992721 12.3993281633069 
S 26.3156113566674 6.01091869992721 14.3216266393069 
S 7.5713829066674 10.0181978599272 10.4770296873069 
S 16.9434971316674 10.0181978599272 12.3993281633069 
S 26.3156113566674 10.0181978599272 14.3216266393069 
S 10.7332651956674 2.00363953992721 21.1661521333069 
S 20.1053794206674 2.00363953992721 23.0884506093069 
S 29.4774936456674 2.00363953992721 25.0107490853069 
S 10.7332651956674 6.01091869992721 21.1661521333069 
S 20.1053794206674 6.01091869992721 23.0884506093069 
S 29.4774936456674 6.01091869992721 25.0107490853069 
S 10.7332651956674 10.0181978599272 21.1661521333069 
S 20.1053794206674 10.0181978599272 23.0884506093069 
S 29.4774936456674 10.0181978599272 25.0107490853069 
S 13.8951474846674 2.00363953992721 31.8552745793069 
S 23.2672617096674 2.00363953992721 33.7775730553069 
S 32.6393759346674 2.00363953992721 35.6998715313069 
S 13.8951474846674 6.01091869992721 31.8552745793069 
S 23.2672617096674 6.01091869992721 33.7775730553069 
S 32.6393759346674 6.01091869992721 35.6998715313069 
S 13.8951474846674 10.0181978599272 31.8552745793069 
S 23.2672617096674 10.0181978599272 33.7775730553069 
S 32.6393759346674 10.0181978599272 35.6998715313069 
S 5.9901729018859 0 5.13252042184738 
S 15.3622871268859 0 7.05481889784739 
S 24.7344013518859 0 8.97711737384739 
S 5.9901729018859 4.00727916 5.13252042184738 
S 15.3622871268859 4.00727916 7.05481889784739 
S 24.7344013518859 4.00727916 8.97711737384739 
S 5.9901729018859 8.01455832 5.13252042184738 
S 15.3622871268859 8.01455832 7.05481889784739 
S 24.7344013518859 8.01455832 8.97711737384739 
S 9.15205519088591 0 15.8216428678474 
S 18.5241694158859 0 17.7439413438474 
S 27.8962836408859 0 19.6662398198474 
S 9.15205519088591 4.00727916 15.8216428678474 
S 18.5241694158859 4.00727916 17.7439413438474 
S 27.8962836408859 4.00727916 19.6662398198474 
S 9.15205519088591 8.01455832 15.8216428678474 
S 18.5241694158859 8.01455832 17.7439413438474 
S 27.8962836408859 8.01455832 19.6662398198474 
S 12.3139374798859 0 26.5107653138474 
S 21.6860517048859 0 28.4330637898474 
S 31.0581659298859 0 30.3553622658474 
S 12.3139374798859 4.00727916 26.5107653138474 
S 21.6860517048859 4.00727916 28.4330637898474 
S 31.0581659298859 4.00727916 30.3553622658474 
S 12.3139374798859 8.01455832 26.5107653138474 
S 21.6860517048859 8.01455832 28.4330637898474 
S 31.0581659298859 8.01455832 30.3553622658474 
S 2.88123734584141 0 9.51710214426576 
S 12.2533515708414 0 11.4394006202658 
S 21.6254657958414 0 13.3616990962658 
S 2.88123734584141 4.00727916 9.51710214426576 
S 12.2533515708414 4.00727916 11.4394006202658 
S 21.6254657958414 4.00727916 13.3616990962658 
S 2.88123734584141 8.01455832 9.51710214426576 
S 12.2533515708414 8.01455832 11.4394006202658 
S 21.6254657958414 8.01455832 13.3616990962658 
S 6.04311963484141 0 20.2062245902658 
S 15.4152338598414 0 22.1285230662658 
S 24.7873480848414 0 24.0508215422658 
S 6.04311963484141 4.00727916 20.2062245902658 
S 15.4152338598414 4.00727916 22.1285230662658 
S 24.7873480848414 4.00727916 24.0508215422658 
S 6.04311963484141 8.01455832 20.2062245902658 
S 15.4152338598414 8.01455832 22.1285230662658 
S 24.7873480848414 8.01455832 24.0508215422658 
S 9.20500192384141 0 30.8953470362658 
S 18.5771161488414 0 32.8176455122658 
S 27.9492303738414 0 34.7399439882658 
S 9.20500192384141 4.00727916 30.8953470362658 
S 18.5771161488414 4.00727916 32.8176455122658 
S 27.9492303738414 4.00727916 34.7399439882658 
S 9.20500192384141 8.01455832 30.8953470362658 
S 18.5771161488414 8.01455832 32.8176455122658 
S 27.9492303738414 8.01455832 34.7399439882658 
S 1.30343886537922 2.00363958 4.17201031646538 
S 10.6755530903792 2.00363958 6.09430879246538 
S 20.0476673153792 2.00363958 8.01660726846538 
S 1.30343886537922 6.01091874 4.17201031646538 
S 10.6755530903792 6.01091874 6.09430879246538 
S 20.0476673153792 6.01091874 8.01660726846538 
S 1.30343886537922 10.0181979 4.17201031646538 
S 10.6755530903792 10.0181979 6.09430879246538 
S 20.0476673153792 10.0181979 8.01660726846538 
S 4.46532115437922 2.00363958 14.8611327624654 
S 13.8374353793792 2.00363958 16.7834312384654 
S 23.2095496043792 2.00363958 18.7057297144654 
S 4.46532115437922 6.01091874 14.8611327624654 
S 13.8374353793792 6.01091874 16.7834312384654 
S 23.2095496043792 6.01091874 18.7057297144654 
S 4.46532115437922 10.0181979 14.8611327624654 
S 13.8374353793792 10.0181979 16.7834312384654 
S 23.2095496043792 10.0181979 18.7057297144654 
S 7.62720344337922 2.00363958 25.5502552084654 
S 16.9993176683792 2.00363958 27.4725536844654 
S 26.3714318933792 2.00363958 29.3948521604654 
S 7.62720344337922 6.01091874 25.5502552084654 
S 16.9993176683792 6.01091874 27.4725536844654 
S 26.3714318933792 6.01091874 29.3948521604654 
S 7.62720344337922 10.0181979 25.5502552084654 
S 16.9993176683792 10.0181979 27.4725536844654 
S 26.3714318933792 10.0181979 29.3948521604654 
C 5.06040626842605 0 3.64286204481917 
C 14.432520493426 0 5.56516052081917 
C 23.8046347184261 0 7.48745899681917 
C 5.06040626842605 4.00727916 3.64286204481917 
C 14.432520493426 4.00727916 5.56516052081917 
C 23.8046347184261 4.00727916 7.48745899681917 
C 5.06040626842605 8.01455832 3.64286204481917 
C 14.432520493426 8.01455832 5.56516052081917 
C 23.8046347184261 8.01455832 7.48745899681917 
C 8.22228855742605 0 14.3319844908192 
C 17.5944027824261 0 16.2542829668192 
C 26.9665170074261 0 18.1765814428192 
C 8.22228855742605 4.00727916 14.3319844908192 
C 17.5944027824261 4.00727916 16.2542829668192 
C 26.9665170074261 4.00727916 18.1765814428192 
C 8.22228855742605 8.01455832 14.3319844908192 
C 17.5944027824261 8.01455832 16.2542829668192 
C 26.9665170074261 8.01455832 18.1765814428192 
C 11.3841708464261 0 25.0211069368192 
C 20.7562850714261 0 26.9434054128192 
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