32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-28.153984758803613 stress="0.00030063682700554647 -4.8481605383391324e-05 -0.00012009159187510994 -4.8481605383391324e-05 0.00025382532019207734 -0.00010610448049001498 -0.00012009159187510994 -0.00010610448049001498 0.00036531977439861025" free_energy=-28.153984758803613 pbc="F F F" O 20.93858073 20.75205420 21.15488783 0.58934852 0.51103344 1.18649598 O 22.55988540 22.20245745 21.16431082 1.02904040 -2.68157697 -1.91510789 O 22.31425730 20.98844065 22.53277713 -1.23493288 1.38883699 0.56283186 O 21.14094875 22.37366136 22.46097674 -0.46698045 -0.72497063 -2.52659372 O 23.78219307 21.21813893 20.76716069 -1.87317490 2.12116923 0.92131943 O 25.69410236 22.33096497 20.88201197 -0.49901740 -1.08677297 0.69007917 O 25.45501886 20.72002482 22.27696427 -0.26510270 0.88033980 -0.47000582 O 23.91661558 22.46512192 22.72586561 -1.67734279 -1.06438203 1.09456795 O 21.29391194 23.54248877 21.02103145 1.74361969 -0.89098161 1.80955857 O 22.20295597 25.68220204 20.89362841 -0.50976480 -0.51653517 1.14229538 O 22.73573857 24.01290447 22.27538150 1.52121255 0.51544918 -3.82822314 O 20.74672503 25.34887301 22.44134821 0.68162659 -0.09015417 -0.90686403 O 23.78984966 23.98735431 20.92299150 -1.13270302 1.38596764 2.29498235 O 25.40698366 25.48830042 20.82825321 -0.97064144 -0.42624580 0.89790032 O 25.39275146 24.09995250 22.81452959 -0.37315874 0.67665026 0.48876052 O 24.01193751 25.75226748 22.46431997 0.97742383 -0.75706402 -0.63939201 O 21.04396501 21.07236142 24.20379337 1.30586758 0.03814520 1.76330142 O 22.73854596 22.26922180 23.78229695 4.06405861 -0.43389832 -1.43027131 O 22.40467509 21.18745344 25.52015752 -0.53825156 0.36053185 -1.58751463 O 20.87970777 22.77711528 25.37871118 0.14577190 1.38703883 -2.03308965 O 23.75213077 20.73125112 23.71824351 -0.60412685 0.82088334 -0.81975359 O 25.63432104 22.26429260 24.12968218 0.19506234 -1.87868509 2.53514894 O 25.71980528 21.29977655 25.68543805 -0.56911937 2.10692509 -2.91467915 O 23.95460942 22.58611212 25.69989723 -0.25560323 0.05860993 0.46267456 O 21.12961200 23.87425859 24.15720406 -1.90185624 -0.55740109 3.98103871 O 22.26564846 25.38507600 24.29768454 -3.27325092 0.43025607 3.76318294 O 22.48273691 23.86065667 25.49947648 1.76142333 -0.45001655 -1.49092303 O 20.97011124 25.20220318 25.21755886 2.65152565 -0.35377084 -4.12736554 O 23.85541431 24.04637956 24.26235339 -0.33621596 0.34656989 2.24237072 O 25.34838096 25.71005355 24.21211731 -0.82654136 -1.43883201 0.88844964 O 25.44968690 24.29594673 25.65710459 -1.65723515 2.04189252 -1.01362284 O 23.99042854 25.35687199 25.47664413 2.29903876 -1.71901199 -1.02155214