64 Lattice="35.0 0.0 0.0 0.0 35.0 0.0 0.0 0.0 35.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=2463.54535501996 stress="-0.09638367113860047 -0.011520177968762497 -0.011699609895956878 -0.011520177968762497 -0.08066369862398165 -0.009256555021518037 -0.011699609895956878 -0.009256555021518037 -0.08162803919570293" free_energy=2463.54535501996 pbc="F F F" C 17.72086729 17.48310996 17.27096654 -539.57784893 -580.45744076 -201.18989008 C 18.02642137 17.81072417 17.38596447 481.42507912 506.68264389 204.49543788 C 18.62409462 18.47516294 17.34117794 53.86393396 58.78429019 -24.06254564 C 19.22134999 19.77265688 17.83890753 -85.31886316 -5.41799580 -113.08483046 C 19.04428433 17.74064375 19.01200555 -145.37658054 -94.22266265 -105.22958063 C 19.60553443 17.97259444 19.36685685 173.63786519 7.10113215 59.31582662 C 17.40871710 18.73069883 18.86819962 -31.84764152 -1.32103085 -91.20429482 C 18.43104684 19.70136534 20.11589105 62.72547944 562.02831491 244.93408921 C 20.42055159 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19.53937280 21.80493183 201.32262293 -63.67764872 83.16683964 C 17.33286624 19.36716098 19.91333605 -133.28445760 54.60806993 -24.22852349 C 17.67628654 21.30261648 20.52128949 -166.77777771 14.20960398 35.19436684 C 19.55966739 20.91599165 19.80335328 -5.54310795 -17.09842034 -43.32965030 C 19.17385384 21.40837470 20.25327378 -68.26596287 110.43155440 142.16487849 C 18.61102597 19.94186987 21.69062746 219.08525644 177.84885479 64.81922730 C 20.11456975 19.74849861 21.62554335 -164.44424120 68.04136580 29.60256904 C 17.59761753 21.26141320 21.50619644 -75.36455703 -26.56071826 48.73345439 C 18.31249719 21.62424395 21.97498104 61.89440306 35.16432564 52.56074439 C 19.09404749 19.36099583 19.99664964 104.02765066 -67.67640688 -39.40587758 C 20.27474943 20.60392384 20.49665250 -194.86695949 -394.39552983 -488.24946424 C 21.09497277 21.11870001 19.60040359 36.11100923 57.74969337 -12.30541514 C 21.80575993 21.70069219 20.57602294 52.10013754 69.29836369 10.68960927 C 21.26989586 20.61867817 20.73981559 104.54095403 -62.31352068 28.71948844 C 21.67970034 20.81104936 21.86968603 46.34635734 19.56086476 66.41169282 C 20.39757659 20.86536967 20.88716159 147.85311201 407.49825499 584.33605707 C 20.21288367 21.86165740 22.11469166 -9.72245759 4.69484776 6.30308767