4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=91.8179302483059 stress="-9.232829210575815 -0.9949680950202346 2.6212006273961674 -0.9949680950202346 -9.14063135343613 6.245458587473768 2.6212006273961674 6.245458587473768 -17.56305551709665" free_energy=91.8179302483059 pbc="T T T" Ta 2.69620170 2.73214964 0.00041025 94.19133874 26.40128416 8.67226536 Ta 1.75551247 1.35444624 2.99188881 -135.42550012 -26.30353440 103.40354449 Ta 1.56482696 2.84620060 1.35047982 -103.45416205 -21.14253755 -8.63386654 Ta 2.43625025 1.46963223 1.65586213 144.68832344 21.04478779 -103.44194331