32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=12.26220426988192 stress="-0.00991701506592673 0.0003148919718501387 -0.0002229007961406853 0.0003148919718501387 -0.009485464586134307 -0.0003432057047274426 -0.0002229007961406853 -0.0003432057047274426 -0.009755902613369869" free_energy=12.26220426988192 pbc="F F F" Ta 20.85540510 21.11115480 21.11044915 -6.40192208 -12.63577857 -13.13460568 Ta 22.83460170 22.43643450 20.83833517 -13.79680899 22.48096190 -16.48651476 Ta 22.44698775 20.83509776 22.79140352 -2.50254918 -20.48767846 -2.38609995 Ta 20.77812781 22.64378885 22.45334452 -11.32169366 5.17029487 6.13410333 Ta 23.85009055 20.95894820 21.20259391 20.24543593 -29.32697797 -7.05428997 Ta 25.94004129 22.29741380 20.86550211 6.69819745 1.29007662 -12.42963297 Ta 25.66302619 21.22277084 22.81084377 13.82432712 -45.95450710 -40.12134891 Ta 24.43362810 22.82081920 22.77185009 -29.81798637 -29.97502487 -11.61621330 Ta 21.26959405 24.42626233 20.85402479 -13.27519169 -20.39221760 -32.36450606 Ta 22.83496341 25.86707130 21.15300231 -3.70176293 28.33980009 -31.99814627 Ta 22.66348316 24.20774659 22.44935701 -5.76336388 -20.08212803 1.74408727 Ta 20.95789336 25.76325682 22.15101319 -21.70110470 29.67145242 14.25681511 Ta 24.44178619 24.42895518 21.29140871 -5.99129951 -14.65381380 -59.40185943 Ta 25.98955359 25.90753581 21.14904689 11.15323077 10.74623447 -5.64078295 Ta 25.65591226 24.05787766 22.59103997 67.52844039 17.35196740 5.45655230 Ta 24.05598025 25.69657598 22.63861598 15.74968518 45.85278660 18.75650699 Ta 20.85198705 20.97567541 24.31329927 -17.67993076 -8.55678054 -6.10563093 Ta 22.86120268 22.40346858 24.01742400 -13.84609432 10.68391075 13.08079731 Ta 22.46626820 20.84140700 25.69168137 7.77400098 -15.09162702 12.57540937 Ta 20.91986395 22.36896547 25.96573906 -7.70044289 11.06242316 8.78388620 Ta 24.52219963 20.93381326 24.38132919 -14.35401280 -21.36538757 14.10288688 Ta 26.13478669 22.35092512 24.03504734 33.62192055 29.23106314 35.71593111 Ta 26.05865717 21.08378910 25.95843331 5.61368965 -2.84146405 10.46225754 Ta 23.90722062 22.63144989 26.09594491 4.02961217 0.73563787 11.16815578 Ta 21.23171545 24.43190327 23.81829135 -23.28004211 -6.57007490 17.56688897 Ta 22.83719253 25.79985375 24.37990665 -11.81457103 31.65247912 -12.37662986 Ta 22.40720450 24.53278197 25.93710000 11.66002736 -45.41184735 17.91766333 Ta 21.13362859 25.70202941 25.94534430 -37.56194556 31.05885593 6.49325973 Ta 24.29852473 24.30473499 24.16561068 -7.80113508 -9.37788022 15.42377705 Ta 26.01161615 25.77980033 24.10912935 13.19192610 17.90549820 -3.70449853 Ta 25.67369006 24.36041876 25.64235611 24.09249507 -14.37591528 20.52096258 Ta 24.08533445 25.61648635 25.96111608 13.12886882 23.86566079 24.66081873