500 Lattice="17.4566746609397 0.0 0.0 0.0 17.4566746609397 0.0 0.0 0.0 17.4566746609397" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2635.040635887949 stress="-0.005649090184732901 -0.00013466082549514066 -0.000264419944637403 -0.00013466082549514066 -0.005853898237571152 0.00023176977324634109 -0.000264419944637403 0.00023176977324634109 -0.005596982159957929" free_energy=-2635.040635887949 pbc="F F F" Ni 0.00048974 0.03147282 0.03085247 0.04337581 -0.00199796 0.12677504 Ni 1.72243276 1.70479085 0.03146566 0.03275873 0.25898615 -0.33698466 Ni 1.76566342 0.03065010 1.74965529 -0.17270768 -0.23187699 -0.11271634 Ni 0.04904241 1.74295889 1.73501747 -0.21624813 0.13088538 0.19040495 Ni 3.50882719 0.01943062 0.00256629 0.08749527 0.23429626 0.23760541 Ni 5.26448070 1.77815095 0.00820713 -0.07990417 -0.28950618 0.04968698 Ni 5.25950421 0.03229541 1.73864733 -0.03318379 0.01736595 -0.25649411 Ni 3.45736402 1.76364385 1.68718536 0.40549982 -0.32104629 0.13292066 Ni 7.01797127 0.02887044 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0.01450811 0.20643155 0.34245465 -0.01696063 Ni 15.71272214 5.30168856 0.01047705 -0.28145351 -0.16770369 0.20081444 Ni 15.72048898 3.49085067 1.74120616 -0.07514836 -0.05506454 -0.11877611 Ni 13.99705472 5.20747370 1.73880534 0.14549629 0.22943202 -0.10923880 Ni 0.02657059 6.95287339 0.00518198 0.19194676 0.11677889 0.18321783 Ni 1.72786639 8.76149338 0.03430066 -0.08681869 -0.26031992 -0.21011198 Ni 1.73024539 6.96488124 1.71528328 -0.01364260 0.27309440 -0.17821037 Ni 0.01586885 8.75082008 1.72154805 -0.04183722 -0.19062486 -0.08984598 Ni 3.50786322 7.00403306 0.03483363 -0.36418695 -0.24505970 -0.15912111 Ni 5.20468630 8.68480642 0.00071257 0.35797630 0.35707378 0.11575014 Ni 5.20262600 6.98980807 1.72895289 0.43863448 -0.01458420 0.00780664 Ni 3.46272965 8.75128730 1.72012010 0.33067009 -0.33054988 -0.16747216 Ni 7.00037738 6.97034475 0.01192518 -0.14998723 -0.00085270 -0.00087273 Ni 8.71184956 8.71947597 0.00229483 0.22834231 0.13054059 -0.05436571 Ni 8.74430960 6.99657651 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