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=21.823346773109353 stress="-2.6513654324486096 0.04382259525870927 0.21250576875252825 0.04382259525870927 -4.569549873550783 0.035063442268219246 0.21250576875252825 0.035063442268219246 -4.312088696716469" free_energy=21.823346773109353 pbc="F T T" Zr 0.03320948 2.94057204 0.23521011 -25.23197714 4.19106477 -4.55798725 Zr 1.55646809 1.56812436 0.40937571 27.16739985 1.28711613 -8.84098248 Zr 1.46427615 0.16593146 1.62557069 22.84242129 -1.94953157 4.79840677 Zr 0.13350600 1.64618898 1.53044074 -24.77784400 -3.52864933 8.60056296