32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=836.3063703198454 stress="-12.448524813355503 0.2054112011691179 2.237929147329154 0.2054112011691179 -10.752181409074227 1.4789411780707673 2.237929147329154 1.4789411780707673 -13.518349573899005" free_energy=836.3063703198454 pbc="F F F" P 0.13918523 0.15050642 0.00239915 -51.01083590 -44.84263883 -51.33703504 P 1.54278917 1.73520322 0.24421963 -21.01603039 -5.57017520 -223.48589280 P 1.67101883 0.06487656 1.51477119 -82.33826213 -229.80551247 -91.64224834 In 0.29553441 1.34125301 1.50601457 -110.88829931 42.56920063 49.98771106 P 2.70763472 0.12771106 0.02805905 73.11748346 -80.86546196 -116.21059194 In 4.06919023 1.54990917 0.00398130 63.12612785 -21.79157672 -25.67653596 In 4.50440895 0.09705470 1.40502575 11.08667791 -12.23211527 -1.03634142 P 2.74043896 1.62485696 1.51635763 260.93835130 45.15373998 -42.57637584 In 0.32207394 3.11879667 0.03291762 -107.08634344 -34.85268239 -31.76202841 P 1.32623616 4.58186444 0.12784938 58.33087635 91.57637104 -58.57260172 In 1.43372255 2.98887480 1.52917460 -44.30642736 90.04407078 49.75439534 P 0.01942903 4.73303451 1.64034692 -48.06934586 15.03145146 25.45063234 In 3.26561413 2.89899095 0.03691384 -30.05215468 33.29859446 -31.89822867 P 4.20677130 4.57736569 0.22577322 177.08519321 49.77123427 -171.45790235 P 4.64977756 3.09364432 1.77354104 88.65388585 -42.01505081 -44.11269029 P 3.03273964 4.57675992 1.38803420 -138.96181018 69.12189909 129.36979696 In 0.29497883 0.03942425 2.80691229 -61.61197718 -31.11459452 30.12274060 In 1.66188986 1.29106176 2.74841186 -128.33964940 87.10402721 226.72518806 In 1.29323321 0.28201336 4.41745024 10.36188919 -24.55818813 25.34782848 In 0.19215061 1.66717744 4.64995810 -117.68881997 -232.67008004 279.75693331 In 2.75491735 0.16523617 2.88290997 100.15621939 -79.07825253 92.23850082 P 4.37846166 1.35733739 3.18360837 285.57485053 146.93018283 -350.07185038 P 4.62919136 0.14592855 4.32706660 93.91284491 -189.22905623 135.47441002 In 3.20359985 1.25068542 4.22822113 -329.12706291 36.49333194 269.90416562 P 0.15154029 2.51926976 3.29811016 -65.18798884 151.68394219 -301.33597890 In 1.57473240 4.26010779 2.97263690 -73.31957666 73.59142989 3.22633683 P 1.55926218 2.72754451 4.73715536 151.72178690 49.16099464 56.29953204 P 0.23847451 4.28209294 4.48656723 -36.83416323 52.52947234 31.81873291 P 2.98688953 3.20470050 2.77493780 25.11610460 -73.00914933 60.09154157 In 4.63493950 4.49397598 3.08921712 25.82398380 95.44704046 -28.52612766 In 4.44739551 3.38093258 4.08733562 25.24784299 -55.95197475 73.69670916 In 2.84281484 4.46832450 4.35054118 -4.41537078 28.07952597 30.43727461