500 Lattice="17.33650714455347 0.0 0.0 0.0 17.33650714455347 0.0 0.0 0.0 17.33650714455347" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1975.3893746494145 stress="-0.009673676152282304 -0.0002952226380281595 8.406060534852333e-05 -0.0002952226380281595 -0.009706260150336996 0.00041523335246831656 8.406060534852333e-05 0.00041523335246831656 -0.009692791511321281" free_energy=-1975.3893746494145 pbc="F F F" Ni 0.00778907 0.01749632 0.00370085 0.64850003 0.67114654 0.65392841 Ni 1.75217304 1.72115844 0.00961600 -0.22200369 0.18381947 -0.31077960 Ni 1.72894798 0.03309068 1.71567990 -0.06877310 -0.23517948 0.20969599 Ni 0.01973411 1.76854532 1.71072548 -0.10288849 -0.11829302 0.20548518 Ni 3.43944153 0.00228425 0.02157009 0.21103093 0.29542264 0.30921120 Ni 5.22830140 1.72625594 0.00599656 -0.28928903 -0.20806326 -0.23546847 Ni 5.22482051 0.00530570 1.76048976 -0.46843318 -0.17741844 -0.22954102 Ni 3.45599694 1.75239498 1.70382511 0.37597529 -0.39240357 0.34957684 Ni 6.91418449 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0.01128367 -0.36953465 -0.24645490 -0.16415379 Ni 15.57215359 5.17818174 0.02255237 -0.13633224 0.16069981 0.16746494 Ni 15.59722215 3.48913093 1.73750002 0.16202308 -0.40936040 0.23060871 Ni 13.87838686 5.18035916 1.76776768 -0.19593613 0.03515344 -0.17902551 Ni 0.02615310 6.95942468 0.01584143 0.35865323 -0.12187554 0.33441044 Ni 1.74377821 8.66902609 0.00371760 0.00875268 -0.00390767 -0.19018306 Ni 1.75613176 6.91426834 1.75987775 -0.14693842 0.28531941 -0.22404972 Ni 0.02709233 8.69679422 1.71388797 -0.15745874 -0.28250700 0.26367849 Ni 3.43732651 6.93694672 0.02898896 0.20700484 0.06866828 -0.54099554 Ni 5.21474277 8.70002689 0.02520333 -0.16331004 -0.24505657 -0.35272172 Ni 5.21790272 6.91070355 1.75827609 -0.26749245 0.50287329 -0.47967540 Ni 3.46121442 8.63134111 1.74176437 0.02408557 0.32151690 -0.00872766 Ni 6.94963557 6.96411573 0.02557329 -0.25459511 -0.18145817 -0.46493071 Ni 8.67802945 8.66263864 0.00030869 0.02357778 0.19308183 -0.08826851 Ni 8.66642315 6.92819697 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0.01555912 0.21443607 -0.21144036 -0.41013471 Ni 5.21830360 12.13318338 0.01432760 -0.13931281 0.14192923 -0.47410472 Ni 5.20361790 10.40109756 1.70914438 -0.23352910 0.12205980 0.29474477 Ni 3.45542998 12.13434416 1.73495246 0.04480295 0.18918351 0.07688339 Ni 6.96739097 10.43415540 0.01522283 -0.14907420 -0.53830519 -0.51032263 Ni 8.64850816 12.13292728 0.01894450 0.35184664 0.22797760 -0.53430146 Ni 8.64362211 10.42285880 1.76326796 0.58857848 -0.47631847 -0.26196490 Ni 6.95767734 12.10847975 1.70668240 -0.53402295 0.76792840 0.50282534 Ni 10.41097210 10.42652376 0.02733288 -0.24123880 -0.23933887 -0.38100230 Ni 12.13326378 12.11685844 0.02969433 0.38301913 0.40727678 -0.59237399 Ni 12.11683528 10.43444550 1.72150833 0.35170865 -0.35113426 0.31736750 Ni 10.41440875 12.16630921 1.73348977 -0.32733295 -0.27894006 0.10879450 Ni 13.87259202 10.39905154 0.01961380 0.09204847 0.20301680 -0.17610027 Ni 15.60018358 12.14274652 0.02824245 -0.37004365 -0.06641101 0.35143086 Ni 15.62324651 10.38344846 1.75416315 0.10942239 0.26286830 -0.06159993 Ni 13.86150541 12.14277697 1.76099043 0.05351692 0.05166397 -0.28753733 Ni 0.03387637 13.81070161 0.01616591 0.22470111 0.22533130 0.25665953 Ni 1.76747667 15.61415406 0.02824482 -0.07736874 -0.47645325 0.30685522 Ni 1.71788084 13.83606088 1.70052817 0.33372162 0.33506739 0.45525842 Ni 0.02322182 15.58651573 1.75082367 0.48625963 -0.35053029 0.02021869 Ni 3.47181563 13.87635265 0.00701560 -0.24143597 -0.24834644 -0.28538865 Ni 5.16907762 15.57963242 0.02780970 0.08453537 -0.20026577 0.23044761 Ni 5.17331570 13.84262427 1.71514450 0.34603373 0.18725491 0.38656623 Ni 3.43462844 15.59584685 1.73551156 0.13195319 0.10350668 0.22246802 Ni 6.95133557 13.88800295 0.00226849 -0.14817837 -0.14642086 -0.19193970 Ni 8.69002769 15.59919439 0.02375932 -0.09218181 -0.25008276 0.10019840 Ni 8.68217101 13.87215718 1.72351195 -0.31631176 -0.08692778 0.29862571 Ni 6.93499722 15.57466884 1.70039716 -0.12025445 0.15539223 0.45425001 Ni 10.41060429 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