500 Lattice="20.023174645730847 0.0 0.0 0.0 20.023174645730847 0.0 0.0 0.0 20.023174645730847" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3606.737050819462 stress="-0.00542692413333269 0.0005769481335628659 -0.00011976123931415657 0.0005769481335628659 -0.005286253791663448 0.00013994148945103434 -0.00011976123931415657 0.00013994148945103434 -0.005675508034373633" free_energy=-3606.737050819462 pbc="F F F" Ta 0.02799208 0.00605276 0.02316260 1.02283581 0.89853616 0.86721351 Ta 2.00202109 2.01855460 0.00374974 0.35478273 0.11406497 0.12100539 Ta 2.03845884 0.00898053 2.03053391 0.19970249 0.19334874 0.29551286 Ta 0.02132979 1.99239934 1.96268426 0.27594125 0.31074430 0.68438729 Ta 3.99089298 0.03508837 0.02997098 -0.29177492 0.45745421 0.41532153 Ta 5.97081768 1.99100974 0.05007132 0.26519926 0.51355930 -0.31206000 Ta 5.97711623 0.07199710 1.99799984 0.09334190 -0.24134218 0.44225042 Ta 3.97804240 2.01717942 1.95046778 -0.29312948 -0.25186733 0.33991123 Ta 8.03908316 0.02936260 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14.02018199 12.00749101 0.13721606 0.28592798 0.14407135 Ta 10.00049315 12.00037187 14.04657850 -0.01531667 0.35219179 0.11173274 Ta 8.00871280 14.06006060 14.02195492 -0.10174389 -0.06585223 0.25679299 Ta 11.99100081 11.99393485 12.04850776 0.17635872 0.32797556 -0.26962865 Ta 13.98476800 14.01565725 11.98306984 0.57639884 0.27347043 0.21574490 Ta 14.03362579 11.98005070 14.00066677 0.20863645 0.46603274 0.37666205 Ta 11.98413548 14.04759257 13.98630038 0.34145331 0.03253962 0.70332363 Ta 16.00155384 11.99508436 12.01745561 0.56962072 0.20122738 -0.15643066 Ta 18.04022489 14.03917912 12.00534967 -0.08704218 0.12733736 0.09074885 Ta 17.98553643 12.01840741 13.98501629 0.19070413 -0.13340747 0.18395524 Ta 16.03955385 13.98887090 14.04068078 0.26016932 0.43959381 0.01103276 Ta 0.04794437 16.02324917 11.99388734 -0.12545132 -0.46804778 0.18587660 Ta 1.97091902 17.99532365 12.04599410 0.57091242 0.17327140 -0.14989299 Ta 2.02374153 16.01831229 14.01124664 -0.29055204 0.20689579 0.38548763 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