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=66.49656357360742 stress="-0.001792936623839248 -0.0007389864047108588 -0.00045939131588054646 -0.0007389864047108588 -0.0014720570028159481 -0.0004997520621474236 -0.00045939131588054646 -0.0004997520621474236 -0.001617719046671055" free_energy=66.49656357360742 pbc="F F F" Cu 34.70452046 34.61250509 35.10039395 -2.01906420 -1.97730612 -2.42957211 Ta 35.82304531 35.78680825 36.49217378 -14.76129597 -6.09671677 -16.08668875 Ta 38.04170990 37.15876415 34.61648839 1.52174134 -0.95241802 3.19073855 Cu 39.57993469 38.47165839 36.20877131 -0.17085338 2.42692865 -7.15099029 Ta 37.46842060 35.79096638 37.32875178 18.81339646 -2.10548663 6.69908128 Ta 39.10640122 36.48158498 38.57230587 -21.84768555 -29.95616635 32.97078098 Ta 34.72270716 37.16340346 37.49015829 -5.83101150 9.56889668 7.85872253 Cu 36.15998526 39.56552193 38.83017952 31.07584633 -8.48793260 -33.55070232 Ta 40.32181618 34.95246347 34.84508615 -2.25850638 0.13044588 -0.25479609 Ta 41.36457661 36.30894370 36.31773381 -1.11201153 0.41202007 2.92606344 Ta 42.88885400 37.76162095 35.40284956 -29.54109390 -18.93322542 -11.50128615 Cu 44.13894163 38.65862965 35.88742735 29.23137566 21.58413862 12.26298885 Ta 42.24848391 34.77841774 37.97694642 -2.04438404 0.46363116 -0.60857579 Cu 43.75256947 36.36806500 38.78315153 3.26483517 -1.89832122 -2.57972229 Cu 39.86333398 37.50646684 37.75735532 27.12899631 34.08476323 -22.58519763 Ta 41.76631295 38.36881652 39.00435160 -54.18320622 35.26040123 -52.24805473 Cu 35.01716060 40.21797873 35.10310300 -3.89733898 -9.11098577 -2.29569795 Cu 35.76194530 41.71209557 35.68592602 -36.04073854 -5.96520433 12.59769035 Cu 37.03756462 42.12555308 35.35535711 42.69360505 13.27970057 -10.06067002 Cu 38.37107405 44.07430574 36.13252482 -0.25802027 -0.68998534 0.63674989 Ta 37.95718749 39.94452641 37.29637803 -48.87702376 -78.59131527 -91.93008866 Ta 38.48287224 40.78610325 38.26232978 49.06388824 79.42033360 90.70608276 Ta 34.77446398 42.63360109 37.47713023 -26.10872530 -18.61623607 -14.94255972 Cu 35.93415617 43.43401673 38.28058845 26.48989592 17.47702343 17.49490936 Cu 40.18860768 40.16342709 34.60553157 -5.76668869 -4.18819485 -12.02770635 Cu 40.86081033 40.62427687 36.09712249 -14.00315553 2.91942076 -2.75531527 Cu 42.96782803 42.53142467 35.12599884 -46.38615701 -39.18611555 -29.59384166 Cu 43.82965861 43.25997635 35.69132434 45.63896370 38.34596359 30.71108503 Cu 42.05537390 40.68676766 37.07743970 19.16223787 0.54712130 16.36904094 Ta 43.61748273 41.27659998 38.95194651 1.01235775 -3.24702350 -5.39438895 Ta 39.96786518 42.94757799 37.67369928 -26.69015670 -12.66390794 -39.47725756 Cu 40.79508350 43.30723056 38.92789546 26.56556872 10.51494705 40.28497045 Cu 34.79269848 35.07111339 39.81220896 1.57122756 1.48463773 -0.34468702 Ta 36.22214569 36.65189209 41.36575364 -3.67720883 -14.46936720 5.78525397 Ta 37.34558632 37.54749731 40.09040093 10.33409599 10.30741703 -14.29104746 Ta 39.37679850 38.37715892 41.64478270 -2.06668720 75.60521683 -29.27022113 Ta 37.13064556 34.64150929 42.74808462 -1.82043137 1.17269029 -1.78976975 Cu 38.66862083 36.28316196 43.41915316 -4.00102199 -2.12453231 7.29070939 Ta 34.92069882 37.49433652 42.73356877 -20.73731431 -15.85830232 -9.41132620 Ta 35.76855586 38.75564463 43.72159367 14.47798859 21.55107954 15.26689119 Cu 40.05947113 34.69644589 39.21680627 2.36463541 -4.33887574 1.87052885 Cu 41.10380494 36.72717680 41.41780052 14.09701498 -2.91041242 -6.17462774 Cu 42.69404601 37.71057427 39.78959801 47.18892587 -46.43341418 43.12884692 Cu 43.58859636 38.81507203 40.75117672 9.33622461 8.61259259 6.52253847 Cu 42.38487104 35.31914212 42.68362448 -8.57108485 -5.41790344 -7.14179704 Ta 43.71135690 36.04470001 43.80056312 8.36720120 5.66718554 6.96132961 Cu 39.53637742 37.05209715 42.01095967 0.74653832 -75.56939434 19.70324275 Ta 40.97645972 39.09274857 43.36062386 -30.11151685 -13.22258906 25.26729120 Ta 35.10428231 39.83340540 39.92979323 -32.92716972 4.17535298 28.47786186 Cu 35.53918414 40.87583195 41.65998736 1.94587832 -25.40134514 -11.68184675 Ta 37.56995850 43.04028778 40.19432831 -74.37911826 -47.12764439 -40.46440478 Ta 38.71045034 43.74067475 40.81388579 74.54479846 45.78753079 39.13201926 Cu 37.88412740 39.46870180 42.20778429 -10.28890339 7.75660506 3.23730863 Cu 38.93649434 41.74968432 43.97474773 -23.47488958 -27.56560657 44.42240712 Ta 35.53896910 42.27914365 42.53890464 1.88207456 16.30566246 6.81442490 Ta 35.49796614 43.69898328 43.88514970 0.02449674 10.79510187 10.36853349 Ta 40.80867085 40.21596568 39.77248913 -14.02648843 -11.48328311 -23.60671243 Cu 41.35673528 41.10610097 41.07157351 -2.21636583 16.05835692 24.34959637 Cu 42.85992496 41.96213582 40.72110344 3.86616579 4.25096278 3.89426913 Cu 44.08107624 43.46364679 40.99106560 2.45618001 2.67924429 0.80615995 Ta 42.26345783 39.69476094 42.38303760 30.82015684 9.65875483 -20.91527913 Ta 43.29032583 41.26947846 43.74225093 -0.19574699 2.54695172 0.01742811 Ta 39.53719132 42.46319818 42.80219023 24.55276553 24.81494088 -44.73424090 Cu 41.45761600 43.90357934 43.55600674 0.05198774 -1.07680799 -0.72647300