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=-127.42588616334741 stress="-0.004569653561856324 4.54111281835814e-05 0.00023709162858677837 4.54111281835814e-05 -0.004622033845450002 0.00018398431031182915 0.00023709162858677837 0.00018398431031182915 -0.004452894284602866" free_energy=-127.42588616334741 pbc="F F F" Mn 20.96235787 21.04882976 20.71904386 1.67147902 0.66528107 2.02890472 Mn 22.50082602 22.74624097 21.14302402 -15.29820390 -13.18148029 -27.50427649 Mn 22.32510017 21.11042859 22.70947124 0.48393353 -23.05021244 -10.04371912 Mn 20.85512851 22.55280714 22.41333883 -20.51069156 -4.62777152 -6.58667792 Mn 23.54875809 21.13476574 21.03236199 4.38435950 -7.32462800 -5.96062284 Mn 25.62260891 22.17255110 20.93858073 -0.76019308 -1.28049660 -0.79912994 Mn 25.25205420 21.15488783 22.55988540 6.58074102 -5.88266976 -6.35772143 Mn 23.70245745 22.66431082 22.61020402 31.31576731 -25.55585993 -6.53708219 Mn 20.98844065 24.03277713 21.05682434 -8.13411122 3.86368113 -6.16834452 Mn 22.36408990 25.31784872 20.75883720 -0.21595711 4.81390884 -0.65586151 Mn 22.71813893 23.76716069 22.69410236 -15.29156022 35.47330230 -11.97489569 Mn 21.07219398 25.40402490 22.43300593 -3.50318692 5.82125648 -2.28232318 Mn 23.72002482 23.77696427 20.91661558 14.52622126 12.36471479 -21.85293124 Mn 25.28146540 25.65120802 21.27957470 1.66990749 1.12871837 -3.79632035 Mn 25.22614529 23.83546251 22.27761356 22.26424389 -0.24840873 -9.29501962 Mn 24.22596375 25.39362841 22.73573857 5.11620756 23.78247453 -10.68661720 Mn 21.02724172 20.96812140 23.70296332 -13.24260905 -7.03583405 6.16951414 Mn 22.34887301 22.72083292 23.78984966 -10.79368300 -15.72432898 29.76628597 Mn 22.29458363 20.92299150 25.16871033 -0.12036557 -6.28823399 5.99280498 Mn 21.18107110 22.32825321 25.68434682 -5.83263199 -2.12822210 3.65168651 Mn 24.09995250 21.26120756 24.01193751 3.84645483 -15.53458566 7.25585297 Mn 25.75226748 22.34868471 24.04396501 10.90483219 -1.58137265 1.43025596 Mn 25.57052164 21.21662613 25.56712632 0.39229886 -0.40862030 1.19616702 Mn 23.76922180 22.42950503 25.52031036 3.63073652 -2.19198061 11.65744917 Mn 21.18745344 24.02015752 23.87970777 -22.07614058 12.78311455 11.16057877 Mn 22.77711528 25.37871118 23.75213077 -10.40216842 18.47306581 11.21194381 Mn 22.32067456 23.71824351 25.63616082 -1.56868655 9.39896317 9.84924581 Mn 20.76429260 25.62968218 25.67686952 2.74621303 -3.15509994 -2.57933415 Mn 24.29977655 24.18543805 23.95460942 7.47459355 0.93003495 16.86908945 Mn 25.57327937 25.69989723 24.40521180 3.69931342 4.94703276 1.81456464 Mn 25.37425859 23.87042119 25.26564846 7.55776205 0.06108040 11.76062396 Mn 24.10244045 25.58373232 25.68657822 -0.51487584 0.69317640 1.26590952