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=610092.6196824084 stress="-31.502136505083985 6.924254584363223 -0.5836536014111812 6.924254584363223 -34.10917211039991 -8.84257773514231 -0.5836536014111812 -8.84257773514231 -35.14586895337539" free_energy=610092.6196824084 pbc="F F F" Hf 20.89293049 20.84314826 21.35906141 -8489.41150300 -64476.16660999 -42264.98397540 Hf 22.69706158 22.78496820 20.79367591 3875.45477738 -81039.53267542 -166430.41181310 Hf 22.57409451 20.84116345 22.67548220 15515.61309025 -123237.97947142 -120527.79167613 Hf 20.96856801 22.44315470 22.14635706 -29137.09156416 48139.44775855 27456.41944225 Hf 23.75646951 21.07666140 20.86382865 -79056.65566944 -76067.26747774 -38436.20673999 Hf 25.16989802 22.00383668 21.24694987 321375.91863502 111543.32355719 -556093.93397803 Hf 25.50129092 21.17945050 22.60935983 228474.00811413 -360677.80605628 130423.12260380 Hf 24.24787676 22.21526438 22.46785506 -468734.29559403 211634.63701695 321499.23958981 Hf 21.16781069 24.14569801 20.85960103 -102018.67659335 -63866.98626385 -9926.48070466 Hf 22.46227454 25.27548947 20.83375861 72285.19148910 88851.29163495 -11146.51902080 Hf 22.55029427 23.48509126 22.30124524 -14565.79221729 85599.18011237 164724.89194066 Hf 20.81232242 25.38592832 22.71379907 -2673.15069445 4117.54258319 640.86794718 Hf 24.04522063 24.12876726 21.27642012 -137226.46911429 -389376.24658780 -435974.92739839 Hf 25.28617357 25.41946736 20.93638613 87170.41504864 52283.72461689 -75938.47294341 Hf 25.20078564 24.11538139 22.46188804 261113.89275264 -157834.59465506 150738.49277000 Hf 24.08558771 25.32617360 22.25035629 -177465.61565360 496544.62231596 304414.54747943 Hf 20.85751664 20.82246232 23.49942534 -34845.36823072 -9986.29506524 20426.00886135 Hf 22.60604450 22.07333740 23.81732766 -84817.55841620 180737.45020083 59002.42029202 Hf 22.20119820 20.99856717 25.26835038 219793.17422714 -325438.82489072 -46023.44020412 Hf 21.26202024 22.20359702 25.62274584 -275005.35634924 230786.05820164 109379.74636220 Hf 23.99730580 21.09820038 24.10613709 76008.28789487 -97135.51212871 18741.21165145 Hf 25.55827329 22.41471991 23.78899670 49084.86232228 109679.80563973 88055.42109008 Hf 25.72014152 21.13073617 25.26900671 81780.05990706 -82930.71396269 7943.42040534 Hf 24.48195683 22.33087777 25.49052578 -72395.75119746 74481.26985035 51586.47194998 Hf 21.10677374 23.66729356 24.18355242 -155249.71299107 6645.06038434 -160452.61531237 Hf 22.86539801 25.60150865 24.00140598 -25155.04802455 9833.34666258 -46021.34485284 Hf 22.24428924 23.66601528 25.36540869 179967.70371210 54315.93022076 159795.84374680 Hf 21.32490129 25.55015586 25.39330726 -11478.88560729 10294.61682868 8607.78831414 Hf 23.72862078 23.68063322 24.04683048 18557.39352103 15217.49061336 -4661.95856857 Hf 25.38465920 25.66877135 23.56789731 28717.84718997 30974.13435704 39753.08187447 Hf 25.31846359 24.24631744 25.44016342 16433.08359381 549.83300097 4163.18457237 Hf 23.80360758 25.59990033 25.57224661 18161.93314472 9839.16028861 46546.90629447