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=-11.711881249370704 stress="0.00030689007081651876 7.271413289162025e-06 -3.466451514755224e-05 7.271413289162025e-06 0.0003114486328794447 2.355610285999347e-05 -3.466451514755224e-05 2.355610285999347e-05 0.0003304352976435156" free_energy=-11.711881249370704 pbc="F F F" F 20.84278181 21.24177297 21.16379789 0.63196043 0.83902311 1.39350028 F 22.25316321 22.94703100 20.91510448 -0.23354029 0.53039890 0.34463284 F 22.27920727 20.92667819 22.23007217 -0.16319680 0.70180355 -0.35249548 F 20.86812911 22.22750088 22.44098179 0.59501994 -0.86944717 -0.93496144 F 23.80922187 21.10511863 21.15410497 -0.16286664 0.35210946 0.74934997 F 25.58539776 22.48159446 21.24368247 -0.32143388 -0.31520057 0.46516545 F 25.59179748 20.90871614 22.28715276 -0.37829083 0.62864635 -0.16454387 F 23.93130037 22.23909748 22.72606892 -0.32038203 -0.41601662 0.47556747 F 20.92077710 24.11751504 20.91208149 0.78427852 -0.07847408 0.41123507 F 22.33755783 25.73242635 20.86502064 -0.41436053 -0.35284778 0.80838180 F 22.32452867 24.22654036 22.79015710 -1.02817099 0.80145332 1.84238739 F 21.00892109 25.68507434 22.03416884 0.86770243 -0.58337485 -0.34851225 F 23.81939410 23.97314080 20.72948835 -0.37485656 -0.16119121 0.29816062 F 25.45383979 25.57094959 21.25755573 -0.18248282 -0.27427590 0.30092938 F 25.53357463 24.16888338 22.76985796 -0.81859480 1.77783475 1.91930433 F 23.50112821 25.68369815 22.52660129 -0.89554313 -0.61952590 0.52598943 F 20.94968153 21.07751506 24.31769764 0.37053721 0.42715091 0.05986332 F 22.53948308 22.73447447 23.83664636 0.27115939 0.72968322 -0.00856284 F 22.61902920 21.00661009 25.49412852 0.30235057 0.35826740 -0.68896294 F 20.88812845 22.83999021 25.31738847 0.78760872 0.32687525 -0.48025802 F 23.70691657 20.92541037 23.95648711 -0.13849350 1.06287424 0.15796176 F 25.71638432 22.29796253 24.07184073 -0.65234132 -0.49388532 0.85107737 F 25.70765191 21.27580778 25.37549249 -0.62639585 1.02559917 -0.98387919 F 24.16246356 22.20079302 25.25194246 0.29834495 -0.48090378 -0.79806683 F 21.18147702 24.27597183 23.80664926 2.33459338 0.27979556 -0.57267451 F 22.29918605 25.59748027 23.73588007 0.11277821 -1.67962383 -1.05916607 F 22.33947044 23.87404977 25.20958829 -0.66339005 -0.24778592 -1.06321498 F 20.98405649 25.26665952 25.53359657 0.40810517 -0.47427963 -0.47890846 F 24.16519763 23.92061326 24.05253756 0.85516112 0.35289027 0.22761203 F 25.35613032 25.20713487 23.73048896 -0.34185116 -2.78234648 -1.10507655 F 25.36958626 24.25392248 25.22040465 -0.87251182 0.12467621 -1.36083130 F 23.66594936 25.49704555 25.39996589 -0.03089702 -0.48990263 -0.43100382