32 Lattice="56.042951583862305 0.0 0.0 0.0 56.042951583862305 0.0 0.0 0.0 56.042951583862305" Properties=species:S:1:pos:R:3:forces:R:3 energy=-264.0686197107745 stress="0.00012519689126536536 3.177531199527089e-05 -3.791548548398585e-05 3.177531199527089e-05 0.00011267763349568734 -2.7266257085585347e-05 -3.791548548398585e-05 -2.7266257085585347e-05 8.671790018209597e-05" free_energy=-264.0686197107745 pbc="F F F" Mo 27.90098004 28.11410479 28.11351675 1.83166606 0.29985409 0.66761706 Mo 30.19767786 29.86587186 27.88675510 -1.50722668 1.03180145 1.34048689 Mo 29.84658974 27.88405726 30.16809807 0.60709868 0.80978539 -0.88036023 Mo 27.83658230 30.06032495 29.64937729 1.46874120 0.96497804 1.12012803 Mo 31.89166744 27.98726596 28.19030405 0.08254355 0.58891833 0.61985796 Mo 34.08027882 29.70175550 27.90939422 -2.17635590 -0.00768040 1.70267760 Mo 33.64576387 28.20711816 30.17787958 1.49846034 -2.46814082 -3.94919642 Mo 32.17756718 30.18619245 30.14538485 -1.88240781 -0.93848916 -1.55140206 Mo 28.24613750 32.17142904 27.89982978 0.13111960 -1.09915311 1.53441377 Mo 30.19797928 33.77095776 28.14897772 -1.42327523 1.26371039 -1.25993209 Mo 30.05507908 31.98933259 29.95511109 -1.17060558 -1.44327650 0.44611155 Mo 27.98638693 33.93295843 30.08064669 1.50445088 -0.70318169 -0.97206150 Mo 32.18436558 32.17367308 28.26431638 -0.14014523 -2.25442201 -3.73690877 Mo 34.12153907 34.05319093 28.14568154 -1.05304299 -0.54528721 1.11705718 Mo 33.84350463 32.11295454 29.99470975 3.73747811 -1.13135477 -0.14864377 Mo 31.86286064 33.87739106 30.03435643 1.58682703 3.05624627 1.60405907 Mo 27.89813167 28.00120530 32.07729315 0.32674672 1.01040118 -0.86528430 Mo 29.97088846 29.64915835 32.01997233 -0.00226909 1.60317350 0.33971172 Mo 29.79148483 27.88931496 33.87331222 0.65164512 0.83443697 -0.10549797 Mo 27.95469575 29.80964767 34.10169363 1.68994063 0.73772842 -1.44020517 Mo 32.25137678 27.96632017 32.13398476 -2.29254236 0.01812821 2.19190266 Mo 34.12703882 29.79461405 31.84541654 1.02804206 2.48448399 3.42033905 Mo 34.17912539 28.19054848 34.09560550 -1.68202509 1.47694534 -1.28666469 Mo 31.90305158 29.76846887 34.21019851 0.19307622 0.32203636 -1.69172803 Mo 28.19951726 32.17612982 31.80942178 -0.26427687 -1.53165961 1.60468312 Mo 30.19983689 33.96345587 32.13279931 -1.47026237 0.38297554 -0.84294416 Mo 29.84151353 32.26019541 34.07782775 1.53367794 -3.59795413 0.02443188 Mo 28.13283295 33.88193559 34.08469800 -0.69412153 0.68939403 -1.30409358 Mo 32.23223273 32.07015625 31.95421933 -1.77719067 -0.57278151 1.21358129 Mo 34.13992454 33.94674469 31.67506429 -0.96381738 -0.28044084 0.96472912 Mo 33.77569585 32.11655940 33.83220784 0.56316149 -0.89946585 0.16732763 Mo 31.88732247 33.81064971 34.09612071 0.06488918 -0.10170988 -0.04419285