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=32.28074070245153 stress="-2.766444435053571 -4.202873870933019 0.7786440148013508 -4.202873870933019 -1.3637812342400517 0.39709220388862926 0.7786440148013508 0.39709220388862926 -4.202210420680662" free_energy=32.28074070245153 pbc="T F T" Ta 2.85402479 0.20996341 2.99207130 -50.72941137 -14.90614635 -13.91525479 Ta 1.65300231 1.53848316 2.95774659 26.95664669 7.07415144 -26.20283336 Ta 1.41852158 0.19178619 1.67895518 -31.11834969 -11.54313978 22.67410774 Ta 0.29140871 1.61455359 1.68158271 54.89111437 19.37513469 17.44398041