32 Lattice="6.837428071369069 0.0 0.0 0.0 6.837428071369069 0.0 0.0 0.0 6.837428071369069" Properties=species:S:1:pos:R:3:forces:R:3 energy=-77.94756475263563 stress="48.04676006804814 41.86127735503437 29.106208430437118 41.86127735503437 11.049447427792257 57.54523805519499 29.106208430437118 57.54523805519499 -33.30044903619928" free_energy=-77.94756475263563 pbc="F F F" Ni 0.03994066 0.01635291 0.05125102 0.17103744 0.25637571 0.25104630 Ni 1.75285287 1.73339727 0.02604494 -10.53818435 1428.97599857 1424.95564563 Ni 1.72815818 0.01318092 1.69151232 -0.06044919 -0.66681167 0.52263075 Ni 0.00292893 1.72939389 1.72242241 -2.22031439 -1.71741465 0.23792746 Ni 3.41892370 0.01846187 0.04119322 815.05513924 -818.82218601 2.30863202 Ni 5.09722203 1.67540268 0.00303748 -3802.08695628 1030.14532642 2793.43845485 Ni 5.12376589 0.04312918 1.70387224 4106.78411210 30.69592488 -4151.68882406 Ni 3.46905232 1.72495385 1.69632376 5.91847800 -347.10797438 -354.31696960 Ni 0.00377068 3.44535431 0.02866774 -853.47920004 5143.20021725 -4275.35853957 Ni 1.69245607 5.10818930 0.00966736 2064.27090477 -1024.70852903 1018.16926367 Ni 1.72200566 3.40764435 1.70453155 433.90638768 0.42371289 433.64766672 Ni 0.03821123 5.12282338 1.66529463 -0.40342114 0.61977529 0.65690831 Ni 3.45420241 3.41547212 0.03466903 -0.31995389 0.28606270 -0.94025251 Ni 5.10140103 5.10608646 0.04654140 -0.17364440 -0.11953336 0.20394229 Ni 5.12379871 3.41917918 1.70820485 1.03676682 -0.12860569 0.35441914 Ni 3.44179982 5.12109284 1.73713970 0.14133766 2.27750599 0.95922121 Ni 0.03376071 0.00248935 3.42866449 37.39816119 -4325.72461671 4271.16930275 Ni 1.68772104 1.66565009 3.43491051 2774.11478735 9.02066843 -2792.34012676 Ni 1.72116181 0.01738429 5.14426592 14.66202058 4067.80961100 4111.41349894 Ni 0.00252282 1.68093950 5.09956806 -5.14265076 -4.33049551 -0.13541407 Ni 3.40641583 0.04407155 3.41720986 0.08480264 -1.11520422 -0.27918725 Ni 5.09199119 1.67291620 3.41370621 1.04812944 0.41758663 -0.00206346 Ni 5.12636251 0.03942515 5.14714786 -0.23916951 0.14548341 -0.36636694 Ni 3.43016976 1.66132943 5.15222562 -0.10788529 0.77396832 0.51881625 Ni 0.00221990 3.42948230 3.37730179 -0.29878018 0.00410330 0.43763796 Ni 1.72830017 5.15631039 3.44233748 10.15322514 -1428.26191723 -1426.29648360 Ni 1.74490323 3.38437607 5.13089639 -0.25769862 -0.02881141 0.29669714 Ni 0.03152917 5.14612626 5.15641673 1.55158403 -0.74446354 -1.54767522 Ni 3.43821529 3.41218466 3.40858284 -0.49030686 -0.21784414 0.11178220 Ni 5.13844756 5.15094087 3.40769327 -1034.71122707 -12.95662928 -1020.20985390 Ni 5.15040139 3.42705533 5.11151107 -4554.32159879 -4100.25500039 -391.06003636 Ni 3.40736810 5.10669613 5.15747839 -1.44543330 351.85371645 354.88829971