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=-1.056595270761787 stress="-2.6165646371950726 -0.2499378076389567 0.1332857750605434 -0.2499378076389567 -2.2934591637453945 -0.5207531635566665 0.1332857750605434 -0.5207531635566665 -2.7957281695622127" free_energy=-1.056595270761787 pbc="T T T" Ni 0.19273990 -0.19277068 -0.23827333 -11.28281748 13.63796570 30.99096315 Ni 1.55332204 1.34142898 0.23110688 -3.30701782 1.36179563 -4.00092145 Ni 1.49816022 0.01283276 1.70071341 9.83650380 3.57772678 -14.72021787 Ni -0.17141964 1.64720807 1.58942344 4.75333151 -18.57748811 -12.26982382