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=175.18672577678694 stress="-872.7246889959068 37.52262881786105 -156.556583268103 37.52262881786105 -1135.1011814745277 -268.0009382426467 -156.556583268103 -268.0009382426467 -774.0289102173782" pbc="F F F" Ni 0.07175580 0.09030242 0.22746636 -423.77252040 -554.33371960 -417.46227018 Ni 1.70313075 0.94859555 -0.13017227 296.50362056 161.02103881 -140.18072530 Ni 1.32279169 0.07847642 1.70678852 330.93835739 -308.86214084 280.77482608 Ni 0.19450202 1.50482954 1.34185393 -203.66945755 702.17482163 276.86816941