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=10.064796326006057 stress="-2.5473389614248902 0.1198661025608274 -0.040997097159377285 0.1198661025608274 -2.3262996338781057 0.5900850780135775 -0.040997097159377285 0.5900850780135775 -2.2157506860562877" pbc="T F F" Ni 0.08343331 0.22094491 0.23171545 -16.89019263 -16.62674603 -21.42265452 Ni 1.50893269 1.32183498 0.21219253 11.90417627 36.09733657 -29.91002124 Ni 1.42485375 0.12990665 1.28220450 16.07925033 -34.34171277 36.20302480 Ni 0.28278197 1.56210000 1.63362859 -11.09323397 14.87112223 15.12965096