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=-77.64424906179235 stress="-0.0010273228982414688 -0.00029357241348692675 -9.51682706826555e-05 -0.00029357241348692675 -0.0009108212109595609 -8.911894314683217e-05 -9.51682706826555e-05 -8.911894314683217e-05 -0.0006474812262262828" free_energy=-77.64424906179235 pbc="F F F" Ta 21.14909441 21.01865599 21.13451529 -0.23555812 0.12541404 0.60054389 Ta 22.63132919 22.75978669 22.22592512 -11.56566857 -5.60291710 11.35089242 Ta 23.78504734 21.18365717 21.20288723 0.27652146 -8.34342554 -5.43640211 Ta 25.58343331 21.99928362 22.44809454 4.48997263 2.08745373 2.57416073 Ta 21.22094491 24.23171545 21.18190327 -6.46678650 -1.67794437 -6.25702555 Ta 22.32183498 25.71219253 22.42485375 4.96078128 5.34507259 3.30116311 Ta 24.12990665 23.78220450 21.28278197 10.12839515 9.34550218 -7.63144521 Ta 25.56210000 25.63362859 22.32702941 -1.44564738 -1.75402142 1.66855487 Ta 21.35221668 21.05853665 24.05473499 -2.75157389 -2.26389868 -3.70813115 Ta 22.41561068 22.63661615 25.40480033 -6.55503254 -6.17895306 13.44388985 Ta 23.87719504 20.79869006 24.11041876 -1.10094124 -3.93199793 -2.28827234 Ta 25.26735611 22.31986784 25.24148635 6.87261597 -1.25617058 4.57538060 Ta 21.08611608 24.13539300 24.02598936 -7.23787816 -2.60569538 -4.63999040 Ta 22.22329650 25.46375436 25.40583543 3.13400161 4.94128469 4.32515666 Ta 23.75559716 23.70178472 24.29874826 4.88039703 8.50112752 -13.49364084 Ta 25.15084337 25.09994573 25.36219261 2.61640127 3.26916929 1.61516548