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=-1.7698481496643945 stress="5.867208948876641 -0.18296338667689255 0.007361959115735672 -0.18296338667689255 6.251812611590534 -0.007658458686455649 0.007361959115735672 -0.007658458686455649 6.212033928519967" pbc="F F F" Ni 0.07327937 0.19989723 0.12961200 2.17157218 2.60517328 2.09125904 Ni 1.37425859 1.65720406 -0.23435154 -1.72163593 -2.04016655 1.98308758 Ni 1.38507600 0.29768454 1.48273691 -2.44228274 1.78234712 -2.26552904 Ni -0.13934333 1.67089611 1.47011124 1.99234648 -2.34735385 -1.80881758