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=16025.954536766274 stress="-0.8154023305984461 -0.16351357520020152 0.06292853963345615 -0.16351357520020152 -1.1132030102071984 0.11509416308534882 0.06292853963345615 0.11509416308534882 -0.9255155130077677" free_energy=16025.954536766274 pbc="F F F" Po 20.96569329 20.97992671 20.77684527 -126.21544903 -121.40737349 -54.39661379 Po 22.40363595 22.58241113 21.13183311 -165.76355938 -1269.61915185 -1389.82073477 Po 22.59779586 21.05431363 22.54368958 -558.33132703 -792.48233665 -508.73975090 Po 20.98380883 22.59822622 22.78750867 -1238.21793170 -2474.73465029 -1934.88989233 Po 24.23532529 21.13509782 20.98312230 -9495.91161797 -8276.56875093 386.85653530 Po 25.39973155 22.20835305 20.84115651 9037.60282117 8546.47265147 -1505.91684398 Po 25.57153477 20.90013777 22.37383147 1058.91495996 -651.23095670 627.25480309 Po 24.13376234 22.22446616 23.03912663 -48.74470969 14511.67209987 -9302.58957201 Po 20.99631376 24.21357324 21.22102879 -890.89388622 -7411.78340155 -6878.30861217 Po 22.71991613 25.58047108 20.96034063 -4025.00218545 1774.60902354 -5490.16283697 Po 22.68351239 23.99766256 22.27290680 -3842.55495964 -3412.25543060 2817.30294103 Po 21.02775942 25.44077892 22.27063496 -236.85042725 8414.65653680 5867.31889828 Po 23.99364187 24.00885058 21.05339694 1196.80588195 -2834.04379800 -3822.77249897 Po 25.28874077 25.37400866 21.00810829 1320.14128433 1374.34469621 -834.42114263 Po 25.39351558 23.98216391 22.42298234 1016.71168841 -730.46396054 358.98849673 Po 23.73628792 25.31848661 22.25636540 6382.14150834 5195.79249421 6857.80184502 Po 20.87282790 20.80945424 23.95281588 -699.67857487 -807.85378770 -46.51750138 Po 22.24033549 22.17422518 24.23674212 4886.78989347 1631.84000323 -7705.41662602 Po 22.48077807 21.06914798 25.59923712 3011.03596692 -5067.22866689 2428.57968780 Po 21.29427095 22.32009241 25.57408139 -7429.68001531 3776.07479532 6422.41205803 Po 24.12498826 20.92636409 23.89064282 -106.38716976 -14604.27392302 9109.73693127 Po 25.71023728 22.51950251 24.26501324 1295.18304637 248.78849095 -1009.15311339 Po 25.61473928 20.95875893 25.43713256 1036.11974251 -1432.04548690 612.19545527 Po 24.19682544 22.20376332 25.42635753 -1262.43865448 1162.77052260 1022.02499118 Po 21.28354379 24.11671919 23.62473931 -1035.35801260 792.65847303 1958.40728253 Po 22.38600452 25.44363880 24.26390776 5088.92536816 5797.19644098 -8059.43323358 Po 22.75943233 24.15951543 25.32143544 865.95582008 -5659.35309309 2901.24806549 Po 21.24909670 25.26657327 25.44252642 -6418.32736034 64.12628850 5776.32249152 Po 24.42386852 24.29352933 24.16341367 -3363.85597227 -1318.21904304 -1755.76722832 Po 25.47620852 25.68042103 23.67287747 1359.90975857 1949.98637084 -429.92176766 Po 25.62405311 24.11937950 25.43209460 2323.82476723 127.04676572 2790.97990854 Po 23.88213517 25.56148920 25.75129749 1064.14930554 1495.52815797 790.79757779