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=-50.53767641760061 stress="-0.0005851847521592823 7.909297317805056e-05 -0.00018147718116763017 7.909297317805056e-05 -0.000551752549654613 -6.3523037528177e-05 -0.00018147718116763017 -6.3523037528177e-05 -0.0006642074179591375" free_energy=-50.53767641760061 pbc="F F F" Cu 20.93287367 20.84234324 21.03342009 0.74190199 0.80417469 0.61753131 Ta 22.70947124 22.26211217 22.73387823 -6.26475594 5.94649241 -11.19313884 Ta 23.91333883 20.84655491 20.87241235 -2.18406046 -2.96994560 -2.83225295 Ta 25.32230844 22.23874481 22.22286420 4.65633358 2.27467987 2.85026358 Ta 20.93858073 23.88307899 21.15488783 -1.74410848 -1.38837352 -0.80456589 Ta 22.55988540 25.20245745 22.66431082 -1.48830681 8.95045491 -1.79501149 Ta 23.81425730 23.98844065 21.03277713 1.93068074 0.23667613 -3.00837488 Cu 25.41165726 25.62592884 22.42529671 -0.71848780 -0.81733813 0.60126830 Cu 20.82615808 21.29050035 23.97095406 -1.95101377 -1.03002798 1.10478505 Cu 22.93264831 22.10018677 25.16430892 -0.00708586 1.53846902 4.13740326 Cu 23.93300593 20.72002482 23.77696427 7.69824240 -9.74391492 5.20919705 Cu 25.41661558 22.48543228 25.72586561 -0.94545910 0.11449638 -1.10904894 Cu 21.29391194 23.72614529 24.02103145 -4.29015274 -0.17879703 4.60337299 Ta 22.46506700 25.56190982 25.67074368 -0.87908998 -1.05281570 -1.01667301 Cu 24.23573857 24.02724172 23.77538150 -2.24114897 -10.89232323 -9.82683516 Ta 25.08167450 25.10100378 25.45208404 7.68651121 8.20809270 12.46207963