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=-177.67084144346566 stress="-0.7328246123725723 0.19930122640150705 0.02027637977580684 0.19930122640150705 -0.4286883064910937 0.1956813680393275 0.02027637977580684 0.1956813680393275 -0.5159080427027618" free_energy=-177.67084144346566 pbc="F F F" He 0.40340812 0.08290766 0.03310309 -2.49370676 -1.59003279 -5.53341033 H 1.31305510 1.34472026 0.23956773 4.36713099 7.19253039 -7.75740091 W 1.22557373 0.14408857 1.47537525 16.78737432 -24.78228501 -5.93566984 W 0.20902946 1.29590009 1.66265408 -19.87426126 29.52208317 5.34617142 He 2.91227865 0.15577414 0.04435847 1.18844410 0.19395725 -1.01713226 He 4.42413221 1.76564717 0.08476948 0.98657157 -1.35946100 0.42853804 H 4.21017975 0.36889890 1.33284354 -2.40017825 2.27129357 -1.07108408 H 2.86016280 1.72475079 1.27927999 -0.47853654 -13.80935150 13.65688065 He 0.34690374 2.85019335 0.52087942 -2.25329241 -0.33127265 -2.95561837 He 1.35767630 4.51030468 0.48909978 4.62339120 0.79429249 -5.35082103 H 1.50736779 2.98553127 1.23594820 -12.06127691 -0.14319435 14.38347580 W 0.17858111 4.56346030 1.47362592 -8.87822906 0.85292450 -0.51896529 W 2.76820562 2.95203735 0.26111147 8.85482526 8.67527736 -18.42171909 He 4.62621654 4.62150694 0.10428843 0.72427977 0.67748356 -0.17361933 He 4.55386072 3.29695934 1.71433834 3.27523359 -0.68503863 0.13929618 He 3.50248932 4.34578480 1.94648831 -2.96094160 3.43347421 -5.93787318 H 0.17646371 0.03922890 2.87689326 -2.84559125 -5.35563759 9.22782701 H 1.36178774 1.77680686 3.09967038 1.08959498 -2.57099874 -7.59689713 H 1.49640474 0.11215476 4.46140126 5.09383720 -1.22397626 -2.49749236 W 0.13236414 1.23944939 4.38730988 -14.02518612 -7.76165621 -1.33808840 W 2.80772007 0.03790681 2.73395044 11.00096450 5.38745724 14.99350418 H 4.40370520 1.52535716 2.95014756 -3.43646898 0.99632604 -0.47868750 H 4.73295849 0.10637032 4.79740101 -3.68751683 4.40569925 -3.28969528 H 2.60163617 1.57730756 4.62862504 14.12128809 -15.13649920 -0.87282002 He 0.01400128 3.10283992 2.85468965 -2.38577301 0.02765357 0.28215145 W 1.54311643 4.24650446 3.13311255 -13.31343459 19.50401451 -6.32267893 W 1.50743936 2.68523230 4.57094765 -12.84463230 13.75255209 25.41468220 H 0.43551137 4.24751665 4.57534907 -2.30957889 -0.40825394 0.91370692 W 2.84107598 3.10260142 3.18947213 14.46209898 -22.05745013 -26.10863489 He 4.31434896 4.37452950 3.04568674 5.55280218 1.85345716 3.05721954 W 4.33058461 2.86537308 4.52278034 10.80094269 -8.99944684 11.90959016 He 3.01014602 4.56109240 3.97360595 3.31982533 6.67407848 3.42526467