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:Z:I:1:forces:R:3 energy=1882.5507690259394 pbc="T T T" Zr 0.03369179 0.02598936 -0.27670350 40 -1265.78311416 -1210.14622026 -1135.57120181 Zr 0.71375436 0.65583543 -0.24440284 40 1359.95006937 1342.18530163 -1286.96194454 Zr 0.45178472 0.29874826 0.52290972 40 2929.89636697 -1832.25981050 648.10530074 Zr -0.11909813 0.61136659 0.80835534 40 -3024.06332218 1700.22072913 1774.42784561