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=-95.51298151150108 stress="-0.0010477943923864425 -0.00038481120618876673 -0.0005513531622941866 -0.00038481120618876673 -0.0009245726341844904 -4.370509171298724e-05 -0.0005513531622941866 -4.370509171298724e-05 -0.0008860209248746653" pbc="F F F" Ta 34.75900849 34.98477095 35.64594072 -6.64207846 -2.71695698 0.44948092 Ta 36.59933616 35.93572417 35.98055861 -8.33578694 -11.98094266 5.22207332 Ta 37.14715992 37.22516294 35.23402360 4.56761945 16.56708838 -16.59091860 Ta 38.17806499 38.78131475 35.96390753 3.11712616 5.83420763 -4.44644732 Ta 37.29465675 34.93158033 37.42454113 -8.25655946 -13.34429659 8.03585817 Ta 38.85840215 35.76443239 38.07792206 9.95821449 2.41291227 4.00810451 Ta 34.87364502 37.47843907 38.02587658 0.79090547 -2.54534849 -3.36401605 Ta 36.55604684 39.07636534 38.99475015 -7.16589122 29.13418906 -19.24669954 Ta 40.81566554 35.79339813 35.06577139 -12.48800752 -4.87928536 -15.86034633 Ta 41.59993901 36.16113453 36.62713613 2.48520404 8.40951687 14.26701022 Ta 42.56413860 37.42957765 34.86420263 -7.63948516 -5.33629754 -9.53554953 Ta 43.67982227 38.56376137 35.86736005 8.85005324 8.03800107 9.23131078 Ta 42.81964364 35.29825864 37.98568119 0.48250066 -7.37403215 3.10926547 Ta 43.94092265 36.63738841 39.21443148 18.59711778 -4.61140651 -13.80049906 Ta 39.63485376 37.67682157 37.44339995 -5.88823360 0.63486024 -10.51243325 Ta 40.92663375 38.24305762 38.77269330 10.83517130 2.50340287 9.27040822 Ta 34.75331176 39.95945902 35.10549878 -2.65802430 -5.02564122 -2.15618415 Ta 36.14575737 41.14278774 36.24085714 -7.74559497 -17.62694060 26.20788027 Ta 36.84486110 42.04413834 35.19060985 15.15788946 17.26774754 -21.91698342 Ta 38.61643991 43.32327578 36.40123177 -28.18063818 16.19964473 -17.06456057 Ta 37.95366604 39.88968876 37.71888199 -14.39147931 -4.94831645 -10.54981901 Ta 39.18297782 40.79320854 38.39174556 20.56943730 12.61439226 5.90852386 Ta 35.30609528 42.83814538 37.63905551 -6.27420679 -8.91480082 -14.56015400 Ta 35.90975672 43.66349090 39.11824152 6.57571354 9.08619019 16.47779158 Ta 40.35742060 40.07093323 34.98788515 -2.78248474 -2.65572233 -1.58020257 Ta 41.60365422 41.12475624 36.46651109 -10.93168414 17.84387765 -7.48407344 Ta 42.13700750 42.92148869 34.86252385 -2.83949520 -0.83231128 -0.64603504 Ta 43.80466679 43.89897133 36.36724050 -0.50359198 -1.79681402 3.67872655 Ta 42.58087455 40.09122498 37.35935114 6.47861878 -18.29847938 10.28121286 Ta 43.97769358 41.09133389 38.54532507 4.66244219 3.84468298 4.73072590 Ta 39.66448343 42.68403127 37.11226018 26.69363900 -16.73301959 14.48965872 Ta 40.97555741 43.31914392 38.89352680 -18.91809679 7.25257751 -10.30462072 Ta 35.05615299 35.04331559 39.53882749 -8.47313690 -8.16876703 -10.79401936 Ta 36.18959060 36.09305905 40.58996354 8.01171146 9.20151886 6.96731500 Ta 37.00297454 37.99791377 39.62151619 14.92237077 -33.42905204 16.83461991 Ta 38.55150311 38.51894432 41.34725891 -7.36292307 -14.06697347 11.28203717 Ta 37.42751653 35.32341937 42.36669775 -5.22873107 -0.71004371 -2.83250591 Ta 39.08450338 35.75571598 43.58475277 -2.91426900 -10.97964741 12.24914361 Ta 34.99655912 37.96978731 42.51668654 -9.24989358 -8.75267573 -12.10301635 Ta 36.22422232 38.91950201 43.54655608 -5.95406622 -7.23399275 18.29999534 Ta 39.44788460 35.49462124 40.41040162 -2.60219495 0.51357628 0.38150304 Ta 41.48837336 36.00831489 41.43404765 -14.06119632 22.97300576 -13.73346128 Ta 42.84911873 37.25854751 40.34985288 -27.21925966 -10.30656263 1.50781131 Ta 43.60556472 38.49425818 41.03735392 11.93613154 24.61735234 14.62511412 Ta 42.20384740 34.85081933 42.03810700 15.76140910 -26.78960592 12.53078307 Ta 43.63168211 35.59821031 43.96921992 -1.26991339 2.32017462 -0.88848325 Ta 40.09980901 37.00409575 42.77385137 6.89831823 14.57364565 -6.52617980 Ta 41.34247717 38.73073442 43.84131677 1.25845291 1.65898466 -1.74747744 Ta 34.83286624 39.48334140 39.81053191 -12.80556983 1.37636207 5.58536366 Ta 35.86309305 41.30428332 40.93487066 1.64856275 0.14645029 2.07975876 Ta 37.82350393 42.21827495 39.80335328 -9.08465320 -14.20912814 -14.91595839 Ta 38.63834321 43.28337470 40.87827378 9.92347524 14.30228326 14.74429148 Ta 37.36102597 39.94186987 42.87644269 6.22867437 10.47378178 -15.47001996 Ta 38.77404539 41.11480866 43.46376795 8.51760753 7.61700392 4.32607320 Ta 34.71822599 42.61094463 42.70789215 -0.49747748 -1.40049796 -0.50252801 Ta 36.63983132 43.81679079 43.71015818 2.88931035 -1.42838431 -1.22463271 Ta 39.50493887 39.74812168 40.36805486 4.75701744 6.40857572 -5.67519915 Ta 40.89974943 41.22892384 41.12165250 -6.29908820 -10.43443740 -43.58790125 Ta 42.34497277 42.80178516 39.71375535 20.95973702 -7.96716054 11.46299424 Ta 43.68267525 43.84502790 42.14467894 -2.39682862 -2.80234994 -0.07071903 Ta 42.04192441 40.78271988 42.08394626 27.63760225 -13.59658591 16.13014296 Ta 43.47701873 40.92418510 43.84706601 0.77721258 1.46659685 1.41200414 Ta 40.39757659 42.11536967 42.13716159 -15.33455057 28.79852660 25.03774174 Ta 41.27033195 43.80609007 43.81395224 0.44584438 -2.19465302 -1.13307964