32 Lattice="59.439090728759766 0.0 0.0 0.0 59.439090728759766 0.0 0.0 0.0 59.439090728759766" Properties=species:S:1:pos:R:3:forces:R:3 energy=-173.494644219529 stress="0.000168444936080879 -3.073334909317171e-05 4.706595293645124e-06 -3.073334909317171e-05 0.00017356043376566045 -1.2179669233161048e-05 4.706595293645124e-06 -1.2179669233161048e-05 0.0001793457623492418" free_energy=-173.494644219529 pbc="F F F" Ta 30.03019701 29.76775554 29.77386374 -0.45092337 0.05198438 -1.16800577 Ta 32.06314041 31.77015239 29.59167445 -1.05765544 0.84122170 1.32075621 Ta 31.73604699 29.57146906 31.76777970 1.48786285 1.14370062 1.78341575 Ta 29.48859887 31.79118731 31.63574854 1.36725301 0.56716174 0.71541106 Ta 34.09426789 29.76944987 29.47159324 -0.71738506 0.65450965 1.30453287 Ta 36.22494506 31.68758445 29.70991257 -0.86855268 0.47108261 0.33538489 Ta 36.11533365 29.63597848 31.69516025 -0.46099765 0.86900941 0.57244050 Ta 33.93267532 31.66086426 32.02415247 -1.33874437 2.23092032 -2.26566622 Ta 29.52551261 34.12694667 29.57868284 1.39377812 -0.69976029 1.33408502 Ta 31.74404668 36.03219098 29.48623271 1.18758657 -1.07584069 0.96597357 Ta 31.65650692 34.14232996 31.94422546 1.78317108 -1.27751021 -0.55219390 Ta 29.90776671 36.33294599 31.61415778 0.29144454 -0.73625106 1.18700344 Ta 33.98272091 33.77189645 29.75210705 -0.40711096 0.72399121 0.44719856 Ta 35.99937638 36.28446818 29.74224679 -0.76159262 -1.60435093 0.94053400 Ta 35.90083729 33.69820091 31.71643087 0.55353948 0.80119071 1.22991138 Ta 34.14922213 36.11391826 31.83183195 -1.49703238 -1.10973161 0.53475757 Ta 29.65537161 29.64203175 34.13443139 1.22358780 1.13967790 -0.42133116 Ta 31.54620061 31.95155735 34.04848845 1.51634004 -0.92572714 -1.29975070 Ta 32.06004300 29.66727863 36.29824227 -0.62358213 0.47180035 -1.44037036 Ta 29.68981201 31.86705984 36.14832056 0.91100578 0.11280225 -0.50730259 Ta 34.13502251 29.91833366 33.77287954 -1.56021775 -2.56776950 1.84406975 Ta 35.90660017 31.85929533 34.12140590 2.49012098 -1.82735787 -1.60815862 Ta 36.10481731 29.61930184 36.31894877 -1.80353313 1.45649919 -1.70054176 Ta 33.86412069 31.63581234 35.86406197 0.12522088 1.26070689 0.78603965 Ta 29.48474829 33.92402127 33.76877187 0.85864337 0.59769469 0.43197618 Ta 31.95043852 36.27119044 34.21500849 0.46524302 -0.94580016 -4.06745030 Ta 31.99690174 33.92736922 36.14908551 -2.31283606 -1.89733611 -0.79573249 Ta 29.92259448 36.19602937 35.75033094 -0.86177780 -0.93405274 0.78410249 Ta 34.09619809 33.76990175 34.03004129 -2.60539614 1.29161087 -2.07590497 Ta 36.33608982 36.07363346 33.84907526 -1.45201460 -0.91742245 -0.73914790 Ta 36.23043280 33.94028740 35.67921312 0.15377343 0.64824663 1.44244681 Ta 33.72982708 35.76897019 36.00399561 2.97078120 1.18509964 0.68151704