500 Lattice="20.164029319196068 0.0 0.0 0.0 20.164029319196068 0.0 0.0 0.0 20.164029319196068" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3592.334871851553 stress="-0.007012014728183299 2.0981021803530244e-06 -1.9468979655008456e-05 2.0981021803530244e-06 -0.007379965358024573 -0.00013665413503281362 -1.9468979655008456e-05 -0.00013665413503281362 -0.006710127164206733" pbc="F F F" Ta 0.03947835 0.02931288 0.00058213 1.89416257 1.69960185 1.79944664 Ta 2.05408715 1.98452049 0.03709840 -0.88801922 0.01582316 -0.56395318 Ta 2.03851525 0.01836736 1.94490037 -0.76473937 -0.57494898 0.12250481 Ta 0.02192917 1.97675757 2.03032958 -0.13411344 -0.32620511 -0.54328931 Ta 4.00319255 0.00689750 0.03240969 0.06668949 0.76938213 0.61466452 Ta 6.09163570 2.00167241 0.03490357 -0.29119869 -0.61086333 -0.34218804 Ta 6.01602891 0.02298605 2.02011855 0.19126187 -0.28190425 -0.24916732 Ta 3.99906103 1.95942232 2.00151657 0.39961832 0.14229616 -0.30006414 Ta 8.03509485 0.00677473 0.02833608 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0.36895287 0.31622867 -0.04850434 Ta 0.00955276 0.03307396 12.11246043 1.19928540 0.98422792 -0.06260371 Ta 2.05417463 2.00233915 12.13714435 -0.61287082 -0.20908896 -0.28881953 Ta 2.00764050 0.03740194 14.10256537 -0.31509472 -0.44742787 0.18761995 Ta 0.03836704 2.03665581 14.10953120 -0.51160674 -0.51084258 0.02828114 Ta 3.99215012 0.00791178 12.04107982 0.28793652 -0.14718149 0.19372979 Ta 6.08787658 2.05575194 12.06271102 -0.53329165 -0.72578910 0.25783354 Ta 6.08334437 0.02823416 14.08148385 -0.45586088 -0.23759431 0.01488542 Ta 4.01980438 2.04388792 14.18056377 0.47859489 -0.60235909 -0.24701319 Ta 8.05783631 0.03166156 12.10523814 0.24852971 -0.36351775 0.11957581 Ta 10.08992346 1.97814707 12.07795950 -0.14685774 0.26836105 0.32195066 Ta 10.11197379 0.02328256 14.16230371 -0.52723600 -0.41033428 0.03554298 Ta 8.02912720 2.04929081 14.12594259 0.22912870 -0.51151252 -0.11526754 Ta 12.07631903 0.03897246 12.16806423 0.07200356 -0.92171306 -0.16787932 Ta 14.11628599 1.96636453 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