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=-3.623534307768212 stress="-0.6859002918805513 -0.039670668154274946 -0.05669421349413062 -0.039670668154274946 -0.7823726168455122 -0.010818548079617915 -0.05669421349413062 -0.010818548079617915 -0.8234081088474737" pbc="F T T" Ni 0.29768454 0.19485422 -0.13934333 -7.61586840 -3.83467195 3.39216770 Ni 1.67089611 1.41979814 -0.29779682 8.71726869 3.43388289 3.28457593 Ni 1.21755886 0.15136103 1.39917148 6.81501530 -3.80041725 -3.36636574 Ni 0.26235339 1.34838096 1.71005355 -7.91641560 4.20120630 -3.31037788