32
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-100.554327424 stress="0.09472252126424689 0.023521360424478825 -0.04675571930574001 0.023521360424478825 -0.02298525588652181 -0.058909154324613716 -0.04675571930574001 -0.058909154324613716 -0.2972729479624194" pbc="F F F"
C      -0.14459490       0.11115480       0.11044915       2.77150873       1.76362203       0.71573840 
C       1.70960170       1.31143450      -0.16166483      -3.39091161       3.12241409      -2.86470007 
C       1.28829595      -0.16490224       1.64041416      -1.29091575      -1.98107447       0.58135254 
C      -0.18818039       1.51878885       1.35433388       0.17498562       1.92982134      -0.24275206 
C       2.60009055      -0.07729744       0.10842934       2.44022923      -0.85285665       2.12010585 
C       4.56504129       1.20865944      -0.13449789      -1.91134571      -1.64465243       1.64109618 
C       4.04362335       0.22277084       1.68584377      -0.40940010      -2.69078479      -4.81033115 
C       3.18362810       1.69581920       1.34863482      -0.49037126      -2.66506371      -1.67020464 
C       0.26959405       3.17626233      -0.14597521       0.33462070      -4.74100432       1.52644612 
C       1.70996341       4.26498101       0.15300231      -2.22601548       2.08115507      -2.71807096 
C       1.53848316       2.95774659       1.41852158      -4.84722472      -4.24591965      -0.84388374 
C      -0.04210664       4.38825682       1.15131790       0.67328448      -1.45601357       2.06661361 
C       3.19178619       3.17895518       0.29140871      -0.47825868       0.45262564     -17.56267592 
C       4.47592018       4.53253581       0.20740224      -0.04822383      -0.13364203       0.13851085 
C       4.28091226       3.10609294       1.46603997       9.55572709       0.47929143       1.91147923 
C       2.80598025       4.32157598       1.51361598       1.28328061       9.05477165       0.96594527 
C      -0.14801295      -0.02432459       3.06329927      -0.02532546       0.06415609      -0.52388992 
C       1.18391079       1.26040289       2.99451428      -0.33387686       1.71993787       1.21031745 
C       1.34126820      -0.15859300       4.31668137       3.85945868       1.87392272      -1.61839324 
C      -0.08013605       1.16398412       4.59073906       0.53374759      -1.03248412      -0.65245463 
C       3.27219963      -0.06618674       3.13132919      -2.53091175       0.60198123       5.87249238 
C       4.75978669       1.22592512       2.78504734       0.02444523       1.85661757       2.64162911 
C       4.68365717       0.20288723       4.58343331      -3.81079617       2.94672532      -1.65907586 
C       2.79585403       1.44809454       4.72094491       2.39674219       2.34464856      -4.04476699 
C       0.23171545       3.18190327       3.02253701      -0.49974387       0.34733777      -2.68581588 
C       1.71219253       4.42485375       3.12990665       0.26613373       1.85953240       2.37282832 
C       1.28220450       3.28278197       4.56210000       6.88363737      -5.05836893       1.67694590 
C       0.13362859       4.32702941       4.57034430      -2.72805347       2.32949990      -0.71413871 
C       3.04852473       3.05473499       2.61904027      -1.05878380      -4.43510811      14.46445978 
C       4.53746781       4.40480033       2.87513051      -0.59302034      -0.43326126       1.13195247 
C       4.29869006       3.11041876       4.26735611      -2.57193406      -5.48048182      -0.24361344 
C       3.11720683       4.24148635       4.59612800      -1.95268833       2.02265518       1.81685377