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=68.43070105752918 stress="-0.009641781606304948 4.1878457953847595e-05 -0.00047186591840574666 4.1878457953847595e-05 -0.008909989276399589 -0.0002815519452415392 -0.00047186591840574666 -0.0002815519452415392 -0.009599863741099534" free_energy=68.43070105752918 pbc="F F F" Ta 20.85540510 21.11115480 21.11044915 -8.66012834 -14.53029224 -15.78681956 Ta 22.70960170 22.31143450 20.83833517 -9.95535978 6.30941563 -18.85407642 Ta 22.28829595 20.83509776 22.67410596 4.43899017 -22.39665840 -6.95844802 Ta 20.77812781 22.51878885 22.32834452 -13.89569074 9.77546787 8.10693959 Ta 23.90278341 20.95894820 21.20259391 1.35959114 -26.48012712 -11.64552916 Ta 25.56504129 22.20865944 20.86550211 14.97470681 4.03030295 -17.73251537 Ta 25.28802619 21.22277084 22.68584377 17.96163237 -34.55550471 -20.97869083 Ta 24.18362810 22.69581920 22.37014659 -9.20024782 -13.73232160 5.91771225 Ta 21.26959405 24.17626233 20.85402479 -17.78042862 -12.61458164 -27.71050788 Ta 22.67371777 25.49207130 21.15300231 -6.48130320 36.80122712 -29.95739420 Ta 22.53848316 23.95774659 22.32435701 -18.76407251 -20.02070096 14.66073753 Ta 20.95789336 25.38825682 22.27041603 -19.57751181 21.73058981 8.86706146 Ta 23.94738334 24.17895518 21.29140871 1.40621598 -12.64563490 -58.67784933 Ta 25.61455359 25.53253581 21.14904689 12.91280967 21.05871952 -16.99551902 Ta 25.28091226 24.10609294 22.16782470 48.18847474 -14.52444810 9.02789888 Ta 23.80598025 25.32157598 22.51361598 7.33058090 48.32653797 16.09896833 Ta 20.85198705 20.97567541 24.06329927 -22.13679744 -10.70551826 -6.82526972 Ta 22.73620268 22.27846858 23.76742400 -7.07766618 13.40324457 6.82737199 Ta 22.34126820 20.84140700 25.31668137 6.45878390 -21.74627883 13.72466711 Ta 20.91986395 22.24396547 25.59073906 -9.80433415 13.80613199 11.97990485 Ta 24.27219963 20.93381326 24.13132919 -12.81392124 -25.36445464 8.63342923 Ta 25.75978669 22.22592512 23.78504734 27.37391135 27.58876067 16.42628093 Ta 25.68365717 21.20288723 25.58343331 9.63761751 -5.05257469 15.21660891 Ta 23.67675590 22.30946113 25.72094491 4.19006411 9.35229794 16.21624687 Ta 21.23171545 24.18190327 23.88019032 -23.88175128 -15.48187820 -2.01340684 Ta 22.71219253 25.42485375 24.12990665 -7.69523928 35.66221965 -13.51135377 Ta 22.28220450 24.28278197 25.56210000 8.13824775 -37.44784969 25.43948367 Ta 21.13362859 25.32702941 25.57034430 -30.78730661 27.13749976 13.13288577 Ta 24.04852473 24.05473499 23.91561068 -1.46683519 -19.23364730 6.67224073 Ta 25.63661615 25.40480033 23.62365141 17.27499098 19.41426675 6.56894335 Ta 25.29869006 24.11041876 25.26735611 25.47960035 -11.99946913 18.04502379 Ta 23.83533445 25.24148635 25.58611608 12.85237644 24.13525825 26.08497488