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=-19.68292516624515 stress="-0.8716194451678797 0.06006515127575876 -0.06366929581115688 0.06006515127575876 -0.7422117812455261 -0.023901346789779773 -0.06366929581115688 -0.023901346789779773 -0.6977702682160488" free_energy=-19.68292516624515 pbc="T F F" Ni 0.03851086 0.14982991 0.28095696 -5.38617870 -1.81665505 -10.83148499 Ni 1.11766412 1.76008946 0.28460712 1.88893867 5.35664410 -5.39586499 Mo 1.25346517 0.11893942 1.22956938 6.70453208 -11.49925806 9.30265025 Mo -0.16114480 1.53926819 1.73010044 -3.20729205 7.95926901 6.92469972