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=-58.10948347082511 stress="0.00018009567732394228 -0.00011690285771902211 5.085947966804829e-05 -0.00011690285771902211 6.927680145783745e-05 6.178173739588208e-05 5.085947966804829e-05 6.178173739588208e-05 0.00011512112822282733" free_energy=-58.10948347082511 pbc="F F F" Cu 20.95525223 20.89016040 20.97640297 1.30577618 0.54050279 0.70152359 Cu 22.24114677 22.22736499 22.75278033 2.65537171 1.49681641 -3.09524351 Ta 24.09200417 20.88382773 20.96970286 -1.54816046 2.10164279 2.49894730 Cu 25.79489863 22.59190098 22.05380817 -0.52687650 -0.48036858 0.29172828 Cu 21.01683428 24.27093457 20.78902040 -1.26232197 -2.30260390 -1.82255080 Ta 22.23155877 25.42113482 22.22960620 4.10805989 3.55738622 1.38648891 Ta 23.88477302 24.06194135 20.87455773 -1.76846423 -3.17280345 -1.36225927 Ta 25.14109177 25.25979631 22.49454085 2.64104931 5.11956876 0.23751355 Cu 21.05114214 21.04997140 23.96055881 -0.80839690 -1.54501924 1.52954338 Cu 22.41062519 22.37728820 25.78055862 0.58247372 0.65179072 -0.89746142 Ta 23.75776971 20.79998375 24.23232047 0.16545975 1.95695655 -1.55944957 Cu 25.64379487 22.47257021 25.73672153 -1.16049772 0.79623859 -0.93528027 Cu 21.24741067 24.10895215 23.75381041 -1.98901600 -2.08746486 2.05455904 Ta 22.75912702 25.24222034 25.35844045 2.77123082 -0.34753117 -1.00003454 Ta 24.19291102 23.72817044 23.84268038 -2.58759220 -4.62480238 3.94366827 Ta 25.69673490 25.34323236 25.67171396 -2.57809539 -1.66030923 -1.97169293