16 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=-58.290454074037 stress="8.112890208252816e-06 9.760598967259748e-05 0.00025287427993013863 9.760598967259748e-05 -1.046970160975447e-05 -3.17508240015103e-05 0.00025287427993013863 -3.17508240015103e-05 -3.082248182337245e-05" free_energy=-58.290454074037 pbc="F F F" Ta 20.97640297 20.74114677 20.72736499 1.60925401 2.48833212 1.42228270 Ta 22.75278033 22.52785548 22.38382773 -9.66409188 2.87964118 8.09920159 Ta 23.70223738 21.29489863 20.93381024 2.51642324 -6.04129586 -6.49045721 Ta 25.23677887 22.51683428 22.79920021 3.79772317 2.17179564 -1.73198800 Ta 20.78902040 23.73155877 20.92113482 2.48262440 -1.70134702 1.19922351 Ta 22.29375489 25.38477302 22.56194135 1.76989192 1.11727501 -2.67504786 Ta 23.87455773 23.90855725 20.75979631 0.71880637 2.70534512 -0.90038912 Cu 25.49454085 25.55114214 22.28113913 -1.23578348 -1.21930410 0.55155611 Cu 20.96055881 20.91062519 23.87728820 1.12190139 0.99935035 -0.93478707 Ta 22.78055862 22.22950407 25.29998375 -3.30727373 4.20000952 1.02895359 Cu 24.23232047 21.14379487 24.24140249 2.25464506 -5.36065721 -0.70997788 Cu 25.73672153 22.81540323 25.60895215 -1.28529431 0.53204512 -1.15614575 Cu 20.75381041 24.25912702 23.74222034 -1.37417356 -2.16327340 1.51551389 Cu 22.62398709 25.69291102 25.38416666 0.40091290 -1.07581867 -1.11951213 Cu 23.84268038 24.11918371 23.84323236 1.10042638 1.56847732 2.75601188 Cu 25.60964393 25.65809073 25.31702931 -0.90599188 -1.10057513 -0.85443826