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=-86.61774123696692 stress="-0.00039826711812629255 5.222525556491641e-05 7.259115718901573e-05 5.222525556491641e-05 -0.00034336792668514666 -6.52770601524068e-05 7.259115718901573e-05 -6.52770601524068e-05 -0.0004410894519306792" pbc="F F F" Ta 20.81668137 20.91986395 20.74396547 2.00980219 1.96545160 1.79266786 Ta 22.59073906 22.77219963 22.43381326 -1.82218497 -8.78804795 -3.15074620 Ta 24.13132919 21.25978669 20.72592512 -2.30277251 0.92551639 0.85834526 Ta 25.28504734 22.45656688 22.70288723 4.48487280 0.27752449 -2.37862549 Ta 21.08343331 23.67675590 20.94809454 -2.51818783 0.24714945 -2.41367638 Ta 22.72094491 25.73171545 22.54326986 -2.90546798 3.55122146 -0.66047798 Ta 23.82183498 24.21219253 20.92485375 2.22364884 -0.33370405 -4.64547977 Ta 25.37636302 25.26413881 22.70280062 2.11563416 1.62136266 0.56418102 Ta 21.26280203 21.03448025 23.82702941 -1.01193213 0.09643021 -1.45417512 Ta 22.57034430 22.54646020 25.55473499 -2.29872606 1.46187503 4.36982322 Ta 23.91561068 21.13661615 24.18667272 -1.28168726 -6.85147032 -2.54226406 Ta 25.38720696 22.29869006 25.59495216 1.94105401 3.09812296 1.82333834 Ta 20.76735611 23.83533445 23.74148635 -1.41166455 0.82323226 1.03273152 Ta 22.68781729 25.41162544 25.24503322 -2.80397836 4.11956261 3.87902619 Ta 23.72329650 23.96375436 23.90583543 6.40120503 -0.53616756 4.16231836 Ta 25.25559716 25.20178472 25.79874826 -0.81961541 -1.67805922 -1.23698676