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=174.73543909831005 stress="-0.008133093870889957 -0.000616267522805672 0.000793422625043154 -0.000616267522805672 -0.007692347147936804 0.0008272041647622196 0.000793422625043154 0.0008272041647622196 -0.008244738368741449" free_energy=174.73543909831005 pbc="F F F" Ta 20.85540510 21.14484659 21.13643851 -19.85757806 -2.24890195 -5.79864510 Ta 22.70960170 22.31143450 20.83833517 21.05243092 -21.26707154 -43.70016530 Ta 22.28829595 20.83509776 22.64041416 -10.24387941 -37.67201197 9.23598480 Ta 20.77812781 22.51878885 22.32834452 -44.15206465 -12.18572281 -13.82858134 Ta 23.60009055 20.95894820 21.20259391 -13.99432825 -4.91000386 -17.24770803 Ta 25.56504129 22.20865944 20.86550211 30.57712786 -8.31809061 -29.66667847 Ta 25.28802619 21.22277084 22.68584377 5.86634694 7.21837889 18.21174081 Ta 24.18362810 22.69581920 22.64685009 14.97484004 35.98203807 23.06721314 Ta 21.26959405 24.17626233 20.85402479 -10.09955791 16.90021784 -12.52962477 Ta 22.70996341 25.45582566 21.15300231 24.59069025 1.45762166 11.21428523 Ta 22.53848316 23.95774659 22.41852158 -27.63765788 25.35533863 -7.64048278 Ta 20.95789336 25.38825682 22.27041603 -26.26250585 19.14500200 -4.97266266 Ta 24.19178619 24.17895518 21.19724414 9.31382312 9.39588123 0.88574143 Ta 25.61455359 25.53253581 21.14904689 15.02932783 12.47404441 -8.36454922 Ta 25.28091226 24.10609294 22.46603997 -16.91880445 0.49652454 -22.36623706 Ta 23.80598025 25.32157598 22.26921314 -20.78129066 9.40866726 -20.12950348 Ta 20.85198705 20.97567541 23.76508399 -21.21827506 -22.00064200 -5.71213582 Ta 22.73620268 22.27846858 23.99451428 34.32938957 -15.48793126 8.97071494 Ta 22.34126820 20.84140700 25.31668137 -9.10511251 -19.14597461 31.82926481 Ta 20.91986395 22.01687518 25.59073906 -15.31585480 0.43262304 13.96119717 Ta 24.27219963 20.93381326 24.01223106 14.47539641 -33.22577911 -7.04275501 Ta 25.75978669 22.22592512 23.78504734 30.52390423 -20.19070706 -8.80671086 Ta 25.68365717 21.20288723 25.58343331 7.90517703 -6.13722495 9.42084985 Ta 23.65722062 22.50644989 25.72094491 -4.45764181 -3.14978776 31.10670333 Ta 21.23171545 24.18190327 23.82183498 -8.54911206 6.02264118 -6.44211363 Ta 22.71219253 25.42485375 23.87636302 18.35528840 8.22033046 -11.91539808 Ta 22.28220450 24.28278197 25.56210000 -12.60663625 14.36463837 41.89918820 Ta 21.11556290 25.24704806 25.57034430 -5.10026135 5.65510692 6.64070746 Ta 24.04852473 24.05473499 23.91561068 42.49384351 5.20758355 0.21296566 Ta 25.63661615 25.40480033 24.07789707 22.06864693 10.88483225 3.43262113 Ta 25.29869006 24.11041876 24.97078569 -12.11166310 8.69331028 -1.32135982 Ta 23.83533445 25.24148635 25.58611608 -13.14400899 8.62506893 17.39613347