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=36.03240664595279 stress="-0.0025021445616949457 -2.685184483941442e-05 -0.001011477352687237 -2.685184483941442e-05 -0.0025529372177844002 -0.00017835550499153405 -0.001011477352687237 -0.00017835550499153405 -0.002291568852685603" pbc="F F F" Ta 35.22086729 34.98310996 34.77096654 -6.96625269 -4.79811782 -6.10341053 Ta 36.59933616 35.93572417 35.98055861 -17.43148464 -51.20859488 37.60968964 Ta 37.14715992 37.22516294 35.23402360 -3.48450524 18.67049523 -64.98452801 Ta 37.93229823 38.31172061 36.19084223 24.07085693 32.22748707 25.65078972 Ta 37.29465675 35.14771729 38.20399864 -2.58124910 -9.40720244 -6.69570196 Ta 38.85840215 36.26405997 38.83490027 10.61826071 9.94472889 2.20731186 Ta 34.76884260 38.20444678 38.02575960 -5.40357771 -4.23304450 -6.31205447 Ta 36.55604684 39.07636534 38.99475015 -46.26248001 120.82429064 -72.22547026 Ta 40.23975440 35.55577733 35.25284888 -9.34160359 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13.30556705 Ta 34.98481081 42.83814538 37.63905551 -9.32171216 -16.78057325 -28.26843678 Ta 35.51263451 43.66349090 39.11824152 10.49236065 15.30533332 30.38784185 Ta 40.47506249 40.11044668 35.08823643 -7.79025988 -7.28393669 -7.55311484 Ta 41.60365422 41.12475624 36.46651109 -23.27169394 30.28940871 -14.70508565 Ta 42.13394120 42.99269121 35.43802235 -9.14232782 1.62602659 -10.19579075 Ta 43.68701492 43.70706248 36.51627956 9.38766623 4.07626105 8.54510381 Ta 42.58087455 40.09122498 37.35935114 25.52407119 -35.81604635 20.34713133 Ta 43.90613398 41.55066690 38.06735362 7.80120405 7.66086728 3.50139607 Ta 39.66448343 42.68403127 37.11226018 83.56777171 -49.29818609 52.06135638 Ta 40.97555741 43.31914392 38.89352680 -37.22603523 16.83644166 -21.25253820 Ta 35.41842707 35.38305112 39.19257121 -9.00178777 -0.43585417 -2.51380164 Ta 35.74317334 36.09374280 41.26851604 -15.29258993 14.16208145 -7.42787755 Ta 37.00297454 37.99791377 39.62151619 50.36976989 -134.15154486 71.81229867 Ta 38.30891351 38.51894432 41.34725891 -0.76852164 -11.96495315 10.14018175 Ta 37.06390864 35.07793545 42.11036542 17.94139296 -12.78336853 9.73328501 Ta 39.08450338 35.75571598 43.58475277 -10.97390114 -9.78278791 4.55613083 Ta 34.99655912 37.96978731 42.51668654 -17.95542782 -10.45417456 -14.15128077 Ta 36.22422232 38.91950201 43.54655608 -18.13737222 -18.64718875 35.38743927 Ta 39.56209614 34.95076375 40.67017184 -3.82008245 -3.60337604 1.65113642 Ta 41.48837336 36.00831489 41.43404765 -38.14904374 68.88923639 -43.74460872 Ta 42.84911873 37.09847329 39.80845522 -54.09852163 5.81702564 39.82881189 Ta 43.60556472 38.49425818 41.03735392 5.51609236 9.94884348 10.57123192 Ta 42.20384740 34.85081933 42.03810700 45.00544047 -74.53542386 37.60263859 Ta 43.19846121 36.03735751 43.93533384 -0.74344422 1.76282750 -0.48617557 Ta 40.51387432 37.00409575 43.01439572 7.13842036 13.39207471 2.21028932 Ta 40.54082036 39.14489679 43.98598378 32.58841796 -27.94626974 1.80639199 Ta 35.05370384 39.95662146 40.02567089 -24.50628058 -17.12959254 -12.34490613 Ta 35.64418629 41.24709340 41.08813660 13.58849720 25.56113011 21.53664747 Ta 37.82350393 42.21827495 39.80335328 -22.77525985 -25.32784410 -25.95545915 Ta 38.63834321 43.28337470 40.87827378 17.87159441 28.29250578 26.31761884 Ta 37.36102597 39.94186987 42.87644269 28.23863303 36.85232201 -21.01522715 Ta 39.33637875 40.35003375 43.92675119 -27.00632024 32.72901621 0.95742808 Ta 34.73941240 42.81522600 42.59774323 1.69668441 1.55177816 0.98867060 Ta 37.01923225 43.67650819 43.69035511 -0.93710812 -3.03471471 -2.95221620 Ta 39.50420345 39.82002111 40.28192458 2.67774235 -2.91806145 -0.09361568 Ta 40.89974943 41.22892384 41.12165250 43.07782824 -63.32902456 -74.36933169 Ta 42.34497277 42.80178516 39.71375535 42.00278947 -14.20779758 23.90735098 Ta 43.91282868 43.75484312 41.85766015 -3.56442818 -2.39967446 1.26703306 Ta 42.93254863 40.60408419 42.31583657 -3.28482286 -6.72708641 -16.78998037 Ta 43.40100039 41.34897719 44.00395371 3.21961885 9.71355014 17.55204863 Ta 40.39757659 42.11536967 42.13716159 -36.27787389 69.18737570 81.41901056 Ta 41.59790219 44.01013910 43.69410650 1.86341209 -2.89634015 -2.52182901