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=-6.56204136997127 stress="-0.0067349963383213605 -5.216431949465797e-05 -2.505623448709115e-06 -5.216431949465797e-05 -0.006384162038121289 -0.0001453527896704394 -2.505623448709115e-06 -0.0001453527896704394 -0.006684858609720414" free_energy=-6.56204136997127 pbc="F F F" Ta 20.85540510 21.11115480 21.11044915 -5.85082824 -15.26969062 -12.28206708 Ta 22.70960170 22.31143450 20.83833517 -4.93650598 7.43729109 -12.89604441 Ta 22.32198775 20.83509776 22.66640352 3.05546221 -15.15174768 -3.39965933 Ta 20.77812781 22.51878885 22.05164101 -11.88953199 8.26410357 7.07256915 Ta 23.84054841 20.95894820 21.20259391 2.24508561 -17.46232600 -7.49384108 Ta 25.56504129 22.11449487 20.86550211 10.34765163 2.80481026 -11.68077127 Ta 25.28802619 21.22277084 22.68584377 10.38217690 -24.55350322 -15.30837352 Ta 24.18362810 22.69581920 22.40244725 -9.76098155 -10.33393633 1.80401343 Ta 21.26959405 24.17626233 20.85402479 -10.15423645 -10.60077939 -17.23733187 Ta 22.41174813 25.49207130 21.15300231 9.42257013 17.48516105 -14.91947182 Ta 22.53848316 23.95774659 22.71726984 2.83614919 -11.59967089 -12.70369997 Ta 20.95789336 25.38825682 22.27041603 -17.78145559 18.16068280 4.07622720 Ta 24.19178619 24.17895518 21.29140871 -8.93449556 -4.93403460 -37.82102806 Ta 25.61455359 25.53253581 21.14904689 9.69152117 11.30054539 -8.63325130 Ta 25.28091226 24.10609294 22.46603997 35.33898934 -4.38069452 5.18359700 Ta 23.80598025 25.32157598 22.51361598 1.11485805 32.77521733 1.59991509 Ta 20.85198705 20.97567541 24.06329927 -18.90630641 -11.68314162 -4.70646453 Ta 22.21036414 22.27846858 23.87541615 5.62308564 7.88988438 1.88985218 Ta 22.34126820 20.84140700 25.31668137 7.07874770 -14.28433499 11.45943898 Ta 20.91986395 22.24396547 25.59073906 -9.43915374 8.38414932 10.73024729 Ta 24.27219963 20.93381326 24.13132919 -10.59123512 -13.57340657 6.74394114 Ta 25.75978669 22.22592512 23.78504734 19.98074048 16.65441234 13.21023436 Ta 25.68365717 21.20288723 25.58343331 5.70181734 -3.39057059 10.22592192 Ta 23.65722062 22.50644989 25.72094491 1.73141957 -0.01878711 8.96051784 Ta 21.23171545 24.18190327 23.56829135 -28.08774562 -5.23024584 16.33465822 Ta 22.71219253 25.42485375 24.12990665 -5.80407121 26.00954891 -3.95323698 Ta 22.28220450 24.28278197 25.56210000 3.02994387 -23.08520832 14.57656417 Ta 21.13362859 25.32702941 25.57034430 -22.01607388 16.80511952 5.51187056 Ta 24.04852473 24.05473499 23.91561068 -0.40085342 -11.99605137 9.94691511 Ta 25.63661615 25.40480033 23.85912935 12.23686968 16.35199549 1.35695042 Ta 25.29869006 24.11041876 25.26735611 16.94018398 -8.96083928 14.62381407 Ta 23.83533445 25.24148635 25.58611608 7.79620226 16.18604747 17.72799309