2048 Lattice="28.051787291847297 0.0 0.0 0.0 28.051787291847297 0.0 0.0 0.0 28.051787291847297" Properties=species:S:1:pos:R:3:forces:R:3 energy=-8617.328173572505 stress="-65.45327780396565 1.2529917186790378 2.4082425842392468 1.2529917186790378 -64.077195752643 1.0377724764992138 2.4082425842392468 1.0377724764992138 -63.181804738118046" pbc="F F F" Ni -0.00507501 -0.01854047 -0.01246262 0.83257200 0.84722646 0.86917987 Ni 1.73911897 1.75670386 0.01046018 -0.07640238 -0.22348784 -0.16865953 Ni 1.75570007 0.01740456 1.77981674 -0.18305317 -0.18404509 -0.33388368 Ni 0.00686149 1.76832647 1.75825625 -0.15612749 -0.32373753 -0.09196746 Ni 3.51237639 -0.01748575 0.03029848 -0.16377888 0.38886431 0.29062668 Ni 5.23216866 1.75274199 -0.02699919 0.28524150 -0.20770466 0.14976046 Ni 5.27494871 -0.02964275 1.72530764 -0.07256778 0.27350875 0.02162211 Ni 3.48040731 1.78070466 1.72703701 0.62255871 -0.23715090 0.14915882 Ni 7.03189112 -0.01647923 -0.00404961 -0.11473688 0.46870340 0.28835824 Ni 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