108 Lattice="11.854178575258702 0.0 0.0 0.0 11.854178575258702 0.0 0.0 0.0 11.854178575258702" Properties=species:S:1:pos:R:3:forces:R:3 energy=-729.0280309046377 stress="-0.009377226631060732 -2.4132791560359843e-05 -0.0006914407083562623 -2.4132791560359843e-05 -0.010002275645637167 0.00040824471944147134 -0.0006914407083562623 0.00040824471944147134 -0.010403483551467594" free_energy=-729.0280309046377 pbc="F F F" Ta 0.03711367 0.00395419 0.01473382 1.69013419 1.82066692 1.79483199 Ta 1.95221873 1.98385152 0.00199785 -0.06915823 -0.63395628 -0.95229418 Ta 1.99242602 0.02893719 1.97072475 -0.64658437 -1.00375379 -0.46381000 Ta 0.03761208 2.01351608 1.97179190 -0.92331754 -0.76093840 -0.15693758 Ta 3.97285430 0.02800945 0.02719151 -0.18035128 0.54484715 0.74775872 Ta 5.93613862 1.97847963 0.01762738 -0.02111191 -0.21662174 -1.04096066 Ta 5.97526518 0.02465832 2.01103222 -0.27634824 -0.90436885 -0.83271040 Ta 3.94411162 1.99176937 1.98143948 0.05634985 -0.48263818 -0.68948182 Ta 7.91925497 0.00398660 0.02889754 -0.14112014 0.89732111 0.94138889 Ta 9.88829682 1.95012531 0.03284580 -0.63126363 0.12975802 0.54837844 Ta 9.89728938 0.02380429 1.94014083 -0.86202650 0.85197377 0.31449636 Ta 7.93734815 1.99322562 1.95696209 0.22552888 -0.58044205 -0.29622381 Ta 0.03299426 3.92494320 0.02745320 0.48276068 0.22614096 0.37464787 Ta 2.00862585 5.93117154 0.01530602 -0.79312537 0.24436322 -0.95797553 Ta 1.99017544 3.95310641 1.93832183 -0.64809460 -0.00035946 0.44685500 Ta 0.00467263 5.96444501 2.01282292 -0.75862577 -0.35413237 -0.66486266 Ta 3.89841553 3.99743568 0.02213502 0.10481221 -0.56838107 -1.31989199 Ta 5.91052502 5.87190205 0.02314003 0.00991880 0.20204056 -1.17852909 Ta 5.89810253 3.91446962 1.95493330 0.24582227 0.23329239 0.17589086 Ta 3.93164146 5.94746372 1.99190643 0.32727936 -0.07616386 -0.20666552 Ta 7.92962507 3.91194846 0.01196689 0.30432905 0.18744669 -0.97190259 Ta 9.88212986 5.90500949 0.01259258 -0.55986686 0.01091743 0.60136575 Ta 9.89570406 3.92491532 1.97120048 0.81543225 0.21835124 -0.05289120 Ta 7.88244882 5.95982218 1.93835971 0.95532660 -0.71102720 0.28898951 Ta 0.00789033 7.86952782 0.02919389 1.14053851 0.18328588 1.03859047 Ta 2.02717609 9.90837934 0.00541087 -0.24263141 -0.94039003 0.99814675 Ta 2.00599465 7.93838881 1.95640501 -0.92713818 0.31143137 -0.81413154 Ta 0.02434327 9.86977232 1.97893691 0.94019503 -0.94324247 -0.27828385 Ta 3.91614691 7.90637926 0.00304156 0.38263444 0.40355439 -0.84082638 Ta 5.97486970 9.89305055 0.01404542 -0.02192185 -0.79628626 0.79315430 Ta 5.93758898 7.86452777 1.97364578 -0.33223514 1.12628875 -0.45634598 Ta 3.92849788 9.91514936 1.99370655 0.43241418 0.86810639 -0.70536561 Ta 7.92332367 7.86779943 0.02764040 0.34891868 0.76382352 -1.10856004 Ta 9.86190821 9.89450634 0.01585188 -1.98262279 -1.70977847 1.89950737 Ta 9.89099311 7.90506928 1.96219298 0.61663738 0.38077122 -0.19703620 Ta 7.87288898 9.88192329 1.95781825 0.65088083 0.53044868 -0.26732002 Ta 0.00045168 0.02032844 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9.90530282 9.86074319 0.25620320 -0.89330614 -0.88547294