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=-185.71079743727114 stress="-0.0020558079386437467 0.00040196914611700295 -0.00018814701425497326 0.00040196914611700295 -0.0019349500779971766 -0.00014992686630789642 -0.00018814701425497326 -0.00014992686630789642 -0.002013613617212432" free_energy=-185.71079743727114 pbc="F F F" Ta 20.88909689 21.13714415 21.07420351 -4.07853523 -7.80611679 -9.88006998 Ta 23.11543713 22.56703166 21.13708343 -9.35460818 13.83315494 -4.28961231 Ta 22.56120567 20.89345311 22.88687053 5.05796909 -5.95087071 5.60379521 Ta 20.97882984 22.72221844 22.72919618 -4.11678337 11.39417590 7.33051886 Ta 24.87472952 21.24082058 21.21260583 11.29437818 -10.66458613 -1.70845264 Ta 27.06504129 22.69319283 20.96720332 0.42085495 1.39940268 0.25276615 Ta 26.66595984 21.22277084 23.18584377 3.10744142 -11.85113475 -10.76168073 Ta 25.18362810 23.19581920 23.14685009 -5.56405663 -1.50730665 -0.58678446 Ta 20.98863791 25.17626233 20.85485080 0.64049175 -1.22246623 0.32896521 Ta 23.20996341 26.99207130 21.15300231 -1.87121354 1.41397035 -3.36918581 Ta 23.03848316 24.95774659 23.16476255 3.43585109 -4.64829044 -6.62206156 Ta 21.10091738 26.74324575 22.88084462 -1.48703358 6.60482657 -4.07197275 Ta 25.19178619 25.17895518 21.29140871 -5.53531420 -4.79124914 -10.77178757 Ta 26.96968210 26.94587465 20.99560180 0.61224852 1.66295081 -0.61825968 Ta 26.78091226 25.10609294 22.96603997 11.59108925 -0.68289862 4.87122151 Ta 24.80598025 26.82157598 23.01361598 2.25166417 7.97991293 2.18652004 Ta 20.79056778 21.13056324 25.12318467 -5.67592451 -6.04018177 -5.27289895 Ta 22.63991187 22.77846858 25.15882511 5.26670457 4.95677445 -3.68498061 Ta 22.65552549 20.87418413 26.71640111 3.66309392 -4.46076222 3.54066307 Ta 20.79352531 22.70494220 26.87293214 -2.46824178 5.52514280 5.81134025 Ta 25.27219963 21.15195218 25.13132919 -7.43603900 -3.69978590 0.55349378 Ta 27.25978669 22.72592512 24.78504734 6.79135395 11.97384441 7.92596195 Ta 26.95081786 21.39698958 26.91439828 2.29101681 -0.78796398 3.72315893 Ta 24.67786600 22.88110047 26.94096973 -0.01945500 2.90837568 1.47809113 Ta 21.23171545 25.18190327 24.59879924 -7.91689324 -5.25180244 9.06211595 Ta 23.21219253 26.92485375 25.12990665 -2.01049456 5.47000741 -1.74998148 Ta 22.78220450 25.28278197 27.06210000 6.91643002 -12.74404913 2.25269002 Ta 21.13362859 26.82702941 26.98695988 -9.20836880 8.91720230 0.39081538 Ta 25.04852473 25.05473499 24.91561068 -1.36519849 -3.23313536 3.88286408 Ta 27.10173807 26.90480033 25.10306066 0.10322257 2.49659227 -1.22781629 Ta 26.79869006 25.11041876 26.76735611 2.93781456 -3.89012656 2.52374198 Ta 24.83533445 26.74148635 27.08611608 1.72653532 2.69639331 2.89682130