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=2086.9166310298365 stress="-44.101625461017264 -9.31025889758771 2.5427447486017987 -9.31025889758771 -45.44481167648932 -1.618595599858 2.5427447486017987 -1.618595599858 -34.359208158140866" free_energy=2086.9166310298365 pbc="F F F" Cu 0.27559981 0.21736445 0.20384132 -2897.71643893 -2898.84089616 551.81177022 Ta 1.29224623 1.23214964 0.00041025 3226.01819474 2527.65096448 -955.43994307 Cu 1.72042216 0.18745796 1.34620060 -6.41419436 -243.26385410 365.12079835 Cu 0.06351863 1.15781431 1.59556514 -72.46702060 38.25926464 2.13585598 Ta 2.99586921 0.35248898 0.00138624 109.30628688 -53.13165311 -182.70555197 Ta 4.40500378 1.43894966 0.43954511 109.30174712 -12.94138644 -74.16452170 Ta 4.72762880 0.14302948 1.48230880 84.88921599 -16.88403727 -74.13957955 Cu 2.80954272 1.64479646 1.44659566 -54.86105335 -317.70619758 282.84315424 Cu 0.29781857 2.56588203 0.05310209 -433.93827694 545.87208231 4.52886299 Ta 1.70885455 4.38191411 0.23028862 -875.92652426 -69.24441292 -1013.57019695 Ta 1.60409428 3.08491103 1.93101266 5.27649742 -431.36474887 -357.61177686 Cu 0.40498200 4.48824118 1.85075763 -159.34152222 151.50948673 9.60295248 Ta 2.99465110 3.07413299 0.45026154 98.15319558 -110.58014649 -477.43233442 Ta 4.53833958 4.69732654 0.27718492 27.78277782 12.87345927 -20.58598261 Ta 4.65170225 3.06760459 1.29770399 20.39644151 -9.22508607 -21.71249558 Cu 2.77984471 4.48702489 1.38915090 877.50786323 769.98171298 1009.68056192 Ta 0.38883761 0.17061300 3.29169807 -222.04581431 -1333.17638205 -677.85601943 Cu 1.52509811 1.44630638 3.07353213 168.69373091 582.53127720 -391.19128356 Ta 1.81963789 0.28095696 4.28892203 171.37787319 -422.87987503 373.83245505 Cu 0.28193236 1.37675974 4.32230465 -218.39076940 1007.12971918 830.27934778 Cu 3.43480256 0.25244542 2.87575836 -84.29222816 -77.84604894 -65.80072758 Cu 4.33885520 1.77380884 3.23010044 945.00559602 184.36374921 -873.96877277 Ta 4.63047033 0.15839291 4.43338683 57.32616144 -46.86718415 83.70017020 Ta 3.17828948 1.55654917 4.29301824 -992.31244885 -182.33689255 939.43491360 Cu 0.03325418 3.01057521 3.25215555 -68.70219630 -8.85299626 9.19350311 Cu 1.66911338 4.30454100 3.12365747 -1267.54955492 867.97550577 28.72918917 Cu 1.18146112 2.86275462 4.49090732 1.31247173 4.30347414 41.65188242 Ta 0.02274656 4.74141730 4.53994971 -19.83942365 31.41317679 21.80851617 Ta 2.86810690 3.29203083 2.71692874 671.60209016 -753.40990009 -44.64584213 Cu 4.63172390 4.03057964 3.15627235 105.05620573 50.36040152 33.76531191 Cu 4.73289690 2.57603983 4.65273918 124.23955500 81.94075164 51.04250391 Ta 2.83178173 4.51767337 4.26192411 570.55156177 132.38667223 591.66327868