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=610092.6196824083 stress="-2333930.289388659 513004.17364630295 -43241.72802134743 513004.17364630295 -2527080.343315338 -655128.8992412379 -43241.72802134743 -655128.8992412379 -2603887.13901767" pbc="F F F" Hf -0.10706951 -0.15685174 0.35906141 -8489.41150300 -64476.16660999 -42264.98397540 Hf 1.69706158 1.78496820 -0.20632409 3875.45477738 -81039.53267542 -166430.41181310 Hf 1.57409451 -0.15883655 1.67548220 15515.61309025 -123237.97947142 -120527.79167613 Hf -0.03143199 1.44315470 1.14635706 -29137.09156416 48139.44775855 27456.41944225 Hf 2.75646951 0.07666140 -0.13617135 -79056.65566944 -76067.26747774 -38436.20673999 Hf 4.16989802 1.00383668 0.24694987 321375.91863502 111543.32355719 -556093.93397802 Hf 4.50129092 0.17945050 1.60935983 228474.00811413 -360677.80605628 130423.12260380 Hf 3.24787676 1.21526438 1.46785506 -468734.29559403 211634.63701695 321499.23958981 Hf 0.16781069 3.14569801 -0.14039897 -102018.67659335 -63866.98626385 -9926.48070466 Hf 1.46227454 4.27548947 -0.16624139 72285.19148910 88851.29163495 -11146.51902080 Hf 1.55029427 2.48509126 1.30124524 -14565.79221729 85599.18011237 164724.89194067 Hf -0.18767758 4.38592832 1.71379907 -2673.15069445 4117.54258319 640.86794718 Hf 3.04522063 3.12876726 0.27642012 -137226.46911429 -389376.24658780 -435974.92739839 Hf 4.28617357 4.41946736 -0.06361387 87170.41504864 52283.72461688 -75938.47294341 Hf 4.20078564 3.11538139 1.46188804 261113.89275264 -157834.59465506 150738.49277000 Hf 3.08558771 4.32617360 1.25035629 -177465.61565361 496544.62231596 304414.54747943 Hf -0.14248336 -0.17753768 2.49942534 -34845.36823073 -9986.29506524 20426.00886135 Hf 1.60604450 1.07333740 2.81732766 -84817.55841619 180737.45020083 59002.42029202 Hf 1.20119820 -0.00143283 4.26835038 219793.17422714 -325438.82489072 -46023.44020412 Hf 0.26202024 1.20359702 4.62274584 -275005.35634924 230786.05820164 109379.74636220 Hf 2.99730580 0.09820038 3.10613709 76008.28789487 -97135.51212871 18741.21165145 Hf 4.55827329 1.41471991 2.78899670 49084.86232228 109679.80563973 88055.42109008 Hf 4.72014152 0.13073617 4.26900671 81780.05990706 -82930.71396269 7943.42040535 Hf 3.48195683 1.33087777 4.49052578 -72395.75119746 74481.26985035 51586.47194998 Hf 0.10677374 2.66729356 3.18355242 -155249.71299107 6645.06038434 -160452.61531237 Hf 1.86539801 4.60150865 3.00140598 -25155.04802455 9833.34666258 -46021.34485284 Hf 1.24428924 2.66601528 4.36540869 179967.70371210 54315.93022076 159795.84374680 Hf 0.32490129 4.55015586 4.39330726 -11478.88560729 10294.61682868 8607.78831414 Hf 2.72862078 2.68063322 3.04683048 18557.39352103 15217.49061336 -4661.95856857 Hf 4.38465920 4.66877135 2.56789731 28717.84718997 30974.13435704 39753.08187447 Hf 4.31846359 3.24631744 4.44016342 16433.08359381 549.83300097 4163.18457237 Hf 2.80360758 4.59990033 4.57224661 18161.93314472 9839.16028861 46546.90629447