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=-575.245164256902 stress="0.050851400973653225 -0.004386307065580809 -0.001479010662376537 -0.004386307065580809 0.055770417197328497 0.0005057388145708108 -0.001479010662376537 0.0005057388145708108 0.05445469946614814" free_energy=-575.245164256902 pbc="F F F" Mo 20.88909689 21.13714415 21.07420351 14.93437118 19.33924498 18.17336493 Mo 22.70960170 22.21726994 20.83833517 33.83438650 -5.29177819 88.77162993 Mo 22.04389311 20.83509776 22.34219889 50.47963093 115.28948843 -10.66626316 Mo 20.77812781 22.81753711 22.32834452 106.51464600 53.25481203 44.34470607 Mo 23.64970377 20.95894820 21.20259391 -45.45785759 121.27774098 97.80033845 Mo 25.56504129 22.08956130 20.86550211 -75.70096731 51.97624607 88.17039906 Mo 25.28802619 21.22277084 22.68584377 -134.78198731 153.30037202 117.21995718 Mo 24.18362810 22.55718580 22.64685009 49.34437049 -18.62006084 -40.78505802 Mo 21.26959405 24.17626233 20.85402479 96.53914013 38.47343919 121.08855506 Mo 22.76831875 25.49207130 21.15300231 -3.78367789 -269.39428958 192.61884872 Mo 22.53848316 23.95774659 22.16497794 62.22660686 135.29069987 44.80818187 Mo 20.95789336 25.38825682 22.25235034 134.22838341 -147.42006903 -18.13923757 Mo 24.19178619 24.17895518 21.29140871 -122.08131004 46.28255007 253.53054150 Mo 25.53457224 25.53253581 21.34974892 7.02055879 -41.24303752 -36.89208823 Mo 25.28091226 23.80952252 22.46603997 -189.84457546 50.48280751 64.34642870 Mo 23.80598025 25.32157598 22.51361598 34.87787607 -241.52670780 -87.19076469 Mo 20.85198705 20.97567541 23.96415093 88.62819660 75.31090243 3.66926328 Mo 22.43538989 22.56034096 24.00452620 11.07275503 -27.26619252 14.27671474 Mo 22.32580159 20.84140700 25.31668137 4.87512247 99.95276135 -77.52208075 Mo 20.91986395 22.34566667 25.59073906 61.74735504 -20.06225448 -68.09583521 Mo 24.27219963 20.93381326 24.13132919 93.43545992 188.64315473 -96.06922536 Mo 25.75978669 22.10385878 23.78504734 -237.60457172 2.06426917 -114.03837389 Mo 25.40270103 21.20371324 25.43842224 -27.40757711 29.96617500 -27.82101612 Mo 23.79585403 22.55852313 25.72094491 -31.97767464 9.98260984 -76.35372677 Mo 21.23171545 24.39137451 23.82183498 115.84655376 -48.67845436 49.26621633 Mo 22.56732104 25.42485375 24.18271379 26.23780804 -148.38349753 91.18074310 Mo 22.28220450 24.28278197 25.56210000 67.28774045 59.79387928 -273.36291341 Mo 21.13362859 25.32702941 25.57034430 75.75833008 -42.05731302 -115.30978813 Mo 23.96186356 24.05473499 23.91561068 -13.39466297 9.26755178 -3.82691074 Mo 25.63661615 25.40480033 23.87719504 -133.20539267 -152.20484553 80.47614587 Mo 25.29869006 24.11041876 25.26735611 -97.59850910 40.85256170 -111.95289856 Mo 23.68188935 25.24148635 25.58611608 -22.05052795 -138.65276601 -211.71585417