64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=285.05775337154654 stress="-0.004989479796787637 -0.0017161969745445073 -0.002417610265978259 -0.0017161969745445073 -0.006436725913282274 -0.00026859453524944864 -0.002417610265978259 -0.00026859453524944864 -0.004113834864993012" free_energy=285.05775337154654 pbc="F F F" Ta 35.22086729 34.98310996 34.77096654 -14.64987246 -9.72476110 -13.54836304 Ta 36.59933616 35.93572417 35.98055861 -31.45266030 -98.38807192 76.81514863 Ta 37.14715992 37.22516294 35.23402360 -5.61347184 42.17954851 -127.24652630 Ta 37.93229823 38.31172061 36.19084223 42.23692968 58.28373358 37.95103557 Ta 36.90181109 35.14771729 38.20399864 13.83108179 -1.41172815 -1.77971045 Ta 39.35802973 36.07349581 38.45018589 -16.99788756 14.59470055 -35.81025364 Ta 34.76884260 38.20444678 38.02575960 -5.59499054 -4.47890391 -5.98614862 Ta 36.55604684 39.07636534 38.99475015 -123.43046521 298.44049453 -160.73308208 Ta 40.23975440 35.55577733 35.25284888 -16.28330098 -2.83163874 -11.97197186 Ta 41.57116719 36.00454661 36.78983070 -9.66358172 12.84183336 13.07775583 Ta 42.51432400 36.93324962 34.86420263 -24.81282017 -53.12451045 -40.08569734 Ta 43.20908703 38.32278521 35.69931252 26.49001296 54.09124238 35.24920697 Ta 43.25689929 35.29825864 37.73298279 14.00418758 -13.68008614 1.46912091 Ta 43.94092265 36.65431560 39.35194034 25.93321401 -16.62307680 -18.17248918 Ta 39.55099860 38.17006611 37.70524095 -41.73090689 -5.93751133 -40.27597487 Ta 40.91068131 38.21407994 38.73376685 60.75026580 1.88774490 47.82156099 Ta 35.15536010 39.99614724 34.79940458 -51.08800486 -55.77242209 -68.73596132 Ta 36.02132805 40.85688556 35.93157558 17.14185825 21.77595592 101.28361307 Ta 37.30838317 41.76987049 35.01570212 39.31412805 23.89524523 -28.33774211 Ta 38.61643991 43.32327578 36.40123177 -193.50776909 118.40823009 -128.90372569 Ta 37.95366604 39.56840430 37.71888199 -28.45425706 -3.86369086 -8.67817328 Ta 39.18297782 40.79320854 37.99462335 38.63760285 29.23117927 12.45739007 Ta 35.39496534 42.64541994 37.63905551 -9.66540486 -15.37417398 -18.62356126 Ta 36.29493486 43.66349090 39.11824152 6.68184303 20.87096155 18.01138987 Ta 40.38312612 40.32456005 35.03758064 -14.82283072 -8.03159644 -11.60177227 Ta 41.60365422 41.12475624 36.46651109 -38.84449079 59.54813946 -30.36904564 Ta 41.85130811 43.21665008 35.25253907 -11.36955832 -0.44515239 -3.70891197 Ta 43.90115472 43.92104870 35.88926905 8.50215298 1.99512031 3.97287809 Ta 42.58087455 40.09122498 37.35935114 25.88546037 -84.90732921 34.72825876 Ta 43.62110655 41.43106942 38.19906879 23.18987879 30.00768949 18.89876971 Ta 39.66448343 42.68403127 37.11226018 190.13810988 -108.26135880 120.86274557 Ta 40.97555741 42.87272666 38.89352680 -98.33729252 -22.32234404 -50.30427782 Ta 35.05683674 35.46916971 39.29623789 -40.49850015 -14.35571536 -26.35992303 Ta 36.17607196 36.20110399 40.58632960 17.19092364 20.87688450 23.32113437 Ta 37.00297454 37.99791377 39.62151619 120.40283713 -301.71922064 159.17245482 Ta 38.58185949 38.51894432 40.85684932 -68.19875309 -201.53099895 104.21006210 Ta 37.02681434 35.22966073 42.20662353 -9.55938166 -13.10692795 5.48141736 Ta 38.80494671 35.75571598 43.13557943 -67.47774795 -114.18735344 19.43533065 Ta 34.99655912 38.17038782 42.44387400 -38.97263259 -25.00619451 -38.94278182 Ta 36.22422232 38.91950201 43.54655608 -24.52919143 -36.08292447 73.46054976 Ta 39.94580508 35.24192104 40.01079315 8.03925278 -20.44496532 34.86822909 Ta 41.48837336 36.00831489 41.43404765 -91.56287657 156.70533485 -73.41840371 Ta 42.84911873 37.67270989 40.51987673 -397.15153839 -371.99255582 -228.62411429 Ta 43.60556472 38.49425818 41.03735392 379.38632597 382.13800695 240.64832733 Ta 42.20384740 34.85081933 42.03810700 92.98772030 -150.59532919 79.27351910 Ta 43.96462330 36.16805224 43.76534421 -1.89637769 1.01465105 -2.49992110 Ta 39.73333753 37.00409575 43.00005349 72.54096084 109.71549742 -26.60792618 Ta 41.03695434 38.28719268 43.94632733 14.69945168 14.21617180 7.45195448 Ta 34.94292271 39.80099153 40.20999044 -13.52059295 0.17473984 7.37778525 Ta 36.26332309 41.49467021 41.17665376 7.15266490 -10.11294074 -4.14780528 Ta 37.82276851 42.21827495 39.80335328 -16.91075866 -54.84906951 -53.61705313 Ta 38.63834321 43.28337470 40.87827378 34.23102268 46.83266620 44.60914101 Ta 37.36102597 39.94186987 42.87644269 63.15466176 56.66270681 -45.63655679 Ta 39.31175267 40.70744521 43.72950645 5.65712519 -2.26333508 3.27699021 Ta 35.08175413 42.64192570 42.49502824 -11.63627246 6.62059367 9.63901563 Ta 37.05555040 43.97904124 43.25093911 2.82529417 0.64853487 -0.28782350 Ta 39.08266425 39.72649649 40.28235295 78.89810367 203.47890401 -93.90244118 Ta 40.89974943 41.22892384 41.12165250 79.52815339 -144.35886583 -171.39775880 Ta 42.34497277 43.11583676 39.71375535 98.51543130 17.03235529 62.21649875 Ta 43.91609134 43.82709812 41.74953070 -0.45906944 -0.93727592 0.78956578 Ta 42.76961237 40.00036892 42.15602423 -14.74887024 9.98189800 4.17318136 Ta 43.46907250 41.19521481 43.88955235 1.91433652 7.12374520 7.49231857 Ta 40.39757659 42.11536967 42.13716159 -77.23985230 145.66891866 160.37232392 Ta 41.75211220 43.77016552 43.57819544 0.82098958 -0.22139917 0.44722398