32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-57.896961842515736 stress="-0.002047744223934124 7.65620417178237e-05 -2.7910807491282626e-06 7.65620417178237e-05 -0.00208173593738975 -9.377339820174259e-05 -2.7910807491282626e-06 -9.377339820174259e-05 -0.002210858836254972" free_energy=-57.896961842515736 pbc="F F F" Ni 21.29768454 20.98273691 20.86065667 -7.13256539 -1.50945951 -7.71004735 Ni 22.67089611 22.47011124 20.70220318 -0.49547285 2.13353171 -4.87287074 Ni 22.21755886 20.85541431 22.14580671 6.23683411 -7.77427078 6.03111415 Ni 21.26235339 22.34838096 22.71005355 -7.63366739 1.79411639 -6.85071345 Ni 24.21211731 20.94968690 21.29594673 -2.59308523 -7.00179276 -7.64235216 Ni 25.64412948 22.49042854 20.85687199 1.12977947 2.61439431 -2.98666352 Ni 25.47664413 21.24122900 22.52201293 9.10970483 -3.50691170 1.46882840 Ni 23.81634348 22.42534241 22.43424161 0.38694188 4.75209386 2.01629042 Ni 21.00286202 24.04376171 20.89112829 -2.00033895 -1.61081215 -0.07344785 Ni 22.69273990 25.30722932 20.76172667 -5.60960245 8.04318145 -5.46230944 Ni 22.55332204 24.17606281 22.73110688 -2.58599601 -10.65870277 -3.74256004 Ni 20.99816022 25.51283276 22.70071341 -6.16209228 5.44322251 -3.84919508 Ni 23.82858036 24.14720807 21.08942344 8.63176675 -7.60122439 -6.46674401 Ni 25.42569426 25.72190618 20.75172799 0.07491422 -0.33862580 0.68713398 Ni 25.71736445 23.78604778 22.70384132 5.28301732 1.09976643 -4.89335838 Ni 23.79224623 25.23214964 22.50041025 11.51538005 10.03538500 -1.23936498 Ni 21.25551247 20.85444624 24.14171872 -5.48109560 -9.87070227 -5.42343880 Ni 22.56482696 22.34620060 24.01821382 6.55245304 2.08765883 2.01137645 Ni 22.20575425 20.96963223 25.65586213 6.45003631 -3.76810552 7.92512175 Ni 20.90395547 22.33226600 25.23049600 -7.47380086 5.51034116 5.89335159 Ni 24.12036030 20.95631248 23.99639306 -3.27294557 -6.50721916 2.20986335 Ni 25.64432661 22.26023492 24.24849743 5.75790994 2.04549806 -2.89808546 Ni 25.75911890 21.19019325 25.69877714 1.34175637 -3.77453992 4.54480984 Ni 24.10881314 22.63250256 25.60031152 -1.85714839 -2.99024328 5.40197049 Ni 21.05442580 23.85431870 23.78011711 -7.76431764 2.32975880 5.27375940 Ni 22.63572127 25.55791531 23.73387496 -0.49883057 9.41313431 11.31749983 Ni 22.58501927 23.89532845 25.50693356 -1.93423174 3.59046092 2.76187474 Ni 20.95249602 25.62056824 25.30860124 -0.08703307 0.03145004 0.24959202 Ni 24.46978853 23.99955875 24.04313966 -5.93606798 -1.82009882 0.89054074 Ni 25.44832183 25.75980354 23.96667242 4.95453254 3.99259704 -3.20608367 Ni 25.77143892 23.90295338 25.60338854 4.45425174 1.94145157 3.58745280 Ni 24.24759167 25.61018303 25.42518197 -3.36098659 1.87466646 5.04665498