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=-77.64424895973853 stress="-0.0010273225758614224 -0.00029357253719487184 -9.516816213256477e-05 -0.00029357253719487184 -0.0009108212560033389 -8.911900133082934e-05 -9.516816213256477e-05 -8.911900133082934e-05 -0.0006474809765166058" pbc="F F F" Ta 21.14909441 21.01865599 21.13451529 -0.23555921 0.12541369 0.60054414 Ta 22.63132919 22.75978669 22.22592512 -11.56566921 -5.60291804 11.35089501 Ta 23.78504734 21.18365717 21.20288723 0.27652954 -8.34342676 -5.43639997 Ta 25.58343331 21.99928362 22.44809454 4.48995447 2.08745709 2.57416531 Ta 21.22094491 24.23171545 21.18190327 -6.46678929 -1.67794591 -6.25702602 Ta 22.32183498 25.71219253 22.42485375 4.96078173 5.34507768 3.30116449 Ta 24.12990665 23.78220450 21.28278197 10.12840174 9.34550043 -7.63144518 Ta 25.56210000 25.63362859 22.32702941 -1.44564784 -1.75402312 1.66855507 Ta 21.35221668 21.05853665 24.05473499 -2.75157461 -2.26389939 -3.70813339 Ta 22.41561068 22.63661615 25.40480033 -6.55503613 -6.17895483 13.44389693 Ta 23.87719504 20.79869006 24.11041876 -1.10093521 -3.93199440 -2.28827455 Ta 25.26735611 22.31986784 25.24148635 6.87261212 -1.25616983 4.57537136 Ta 21.08611608 24.13539300 24.02598936 -7.23787254 -2.60569684 -4.63999184 Ta 22.22329650 25.46375436 25.40583543 3.13399952 4.94128598 4.32515629 Ta 23.75559716 23.70178472 24.29874826 4.88040215 8.50112569 -13.49364379 Ta 25.15084337 25.09994573 25.36219261 2.61640277 3.26916856 1.61516614