******************************************
*      TYPE OF RUN AND SYSTEM            *
******************************************
USPEX  : calculationMethod (USPEX, VCNEB, META)
310    : calculationType (dimension: 0-3; molecule: 0/1; varcomp: 0/1)
1      : AutoFrac

% optType
1
% EndOptType

% atomType
Li O C H
% EndAtomType

% numSpecies
8 8
% EndNumSpecies
******************************************
*               POPULATION               *
******************************************
100     : populationSize
100    : initialPopSize
200    : numGenerations
160     : stopCrit
1     : reoptOld
0.6   : bestFrac
******************************************
*          VARIATION OPERATORS           *
******************************************
0.15  : fracGene
0.15  : fracRand
0.20  : fracAtomsMut
0.30  : fracRotMut
0.00  : fracPerm
0.20  : fracLatMut
****************************************
*             CONSTRAINTS              *
****************************************
% MolCenters
3.0 4.0
4.0 4.5
% EndMol 

% IonDistances
1.0 0.8 0.8 0.8
0.8 1.0 0.8 0.8
0.8 0.8 1.0 0.8
0.8 0.8 0.8 1.0
% EndDistances

% Latticevalues
10.053 4.7459 22.594 90 97.82 90
% Endvalues

% symmetries
3-14
% EndSymmetries

*****************************************
*   DETAILS OF AB INITIO CALCULATIONS   * 
*****************************************
% abinitioCode
1
% ENDabinit

% KresolStart
0.12
%  Kresolend

% commandExecutable
mlips
% EndExecutable

8     : numParallelCalcs
1     : whichCluster
0     : ExternalPressure
0     : checkMolecules

