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=71.57741612765223 stress="-5.968671091930673 -1.4780394429045207 0.5835363580160299 -1.4780394429045207 -5.254613775661704 0.33716183845142106 0.5835363580160299 0.33716183845142106 -5.5179124209401795" free_energy=71.57741612765223 pbc="T T T" Ta 2.85540510 0.11115480 0.11044915 -15.05935334 54.96652135 38.38507219 Ta 1.70960170 1.31143450 2.83833517 92.19147009 -36.65631421 -36.17659059 Ta 1.28829595 2.83509776 1.64041416 -37.94478858 -42.63210025 53.14648540 Ta 2.77812781 1.51878885 1.32834452 -39.18732816 24.32189311 -55.35496701