256 Lattice="13.984553930366493 0.0 0.0 0.0 13.984553930366493 0.0 0.0 0.0 13.984553930366493" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1028.2404973568086 stress="-0.014151997644834205 -0.00019431786212051517 -0.000594642295992504 -0.00019431786212051517 -0.013938618474493247 -0.0002386394926567823 -0.000594642295992504 -0.0002386394926567823 -0.0138939495085489" free_energy=-1028.2404973568086 pbc="F F F" Ni 0.01201658 0.05702623 0.00982942 0.04395065 -0.09445242 0.13384303 Ni 1.71394157 1.73914454 0.01431524 0.77193260 0.41347160 -0.41287118 Ni 1.72111513 0.02298865 1.77688941 0.58677194 -0.47238292 -0.24705318 Ni 0.01008386 1.75119317 1.72870666 -0.66671420 0.36042640 0.67963617 Ni 3.52874995 0.04954404 0.00620521 -0.27690253 -0.07926655 0.11788665 Ni 5.26324843 1.76502069 0.01927944 -0.09835831 -0.15129220 -0.45595203 Ni 5.26227541 0.02854149 1.76961353 -0.15806053 -0.43639753 0.12577938 Ni 3.48874293 1.75943772 1.74818438 -0.11133575 -0.02121466 0.21292097 Ni 6.98891631 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8.71857367 3.47284676 12.22970647 0.62765874 0.25045041 0.46498036 Ni 6.97211069 5.26409419 12.22111606 0.17752226 -0.29246302 0.50604962 Ni 10.50073464 3.51945922 10.45217174 -0.12889229 -0.59094003 0.42425976 Ni 12.21718389 5.26540320 10.50669314 0.50627254 -0.27846829 -0.17475078 Ni 12.23397106 3.48457801 12.22414767 -0.12314733 0.11959817 -0.02695815 Ni 10.47940087 5.26367707 12.22176061 -0.07426781 -0.35971010 0.60304446 Ni 0.02354604 7.01829826 10.45971363 -0.91248393 -0.43157249 0.10893990 Ni 1.72270879 8.71776549 10.49711954 0.75048817 0.47728350 -0.32387953 Ni 1.72014124 6.99479008 12.23468544 0.35205060 -0.18432989 0.49009781 Ni 0.03767935 8.72528761 12.22112432 -0.30528511 0.28001146 0.21292068 Ni 3.47658719 6.99796792 10.50003193 0.25664676 -0.19779896 -0.37465974 Ni 5.20102991 8.73424018 10.47383964 0.41437342 -0.12223713 -0.20239698 Ni 5.27823243 7.00808497 12.21623816 -0.52253504 -0.19467792 0.38379419 Ni 3.47668575 8.70863484 12.24512392 0.23640840 0.11507783 0.27381630 Ni 6.99857695 6.98335946 10.48626672 -0.02500017 0.13436738 -0.47421688 Ni 8.70548448 8.74720169 10.50983907 0.43761071 -0.11452423 -0.65653944 Ni 8.71305966 6.97232102 12.21049165 0.25748050 0.02902562 0.62762261 Ni 7.01947929 8.70648269 12.22270930 -0.38826192 0.42990229 0.54476436 Ni 10.46172126 6.98931275 10.52138866 -0.03219135 0.18918694 -0.73778786 Ni 12.21451287 8.76471555 10.52172591 0.40494421 -0.14057816 -0.54503664 Ni 12.21010987 7.03181118 12.23283635 0.12675951 -0.23048127 0.09427631 Ni 10.46877109 8.72276773 12.22687185 -0.29897420 0.32501437 0.44785830 Ni 0.01754867 10.49209018 10.50855990 -0.15820434 0.02083998 -0.22204016 Ni 1.72784355 12.26331649 10.49315439 0.63957949 -0.07492637 -0.14952882 Ni 1.80385174 10.45371883 12.23514530 -0.15967077 0.34387419 0.15037567 Ni 0.03402694 12.26109022 12.21719755 0.35919952 -0.47359139 -0.18766358 Ni 3.52720778 10.48497064 10.46034860 -0.62137443 -0.07718891 0.28908713 Ni 5.23869122 12.22578191 10.51223874 0.19297761 0.42391305 -0.23884081 Ni 5.23977755 10.47148092 12.20542718 -0.06979667 -0.18510003 0.68789935 Ni 3.50647250 12.26443839 12.23105102 -0.17184500 -0.26153681 -0.14152703 Ni 6.96577673 10.46877763 10.51759333 0.23273183 0.12390828 -0.40188667 Ni 8.73579188 12.22196134 10.45608308 -0.04698451 0.33933402 0.39401544 Ni 8.75691441 10.48974496 12.23303433 -0.12201595 -0.04707644 0.29527515 Ni 7.00489007 12.25352525 12.26438061 -0.01444775 -0.28232401 -0.29332595 Ni 10.48267109 10.49266573 10.47132921 0.04205332 -0.21170680 0.46351030 Ni 12.20172756 12.25144343 10.47583329 0.06949945 -0.22932937 -0.03304428 Ni 12.22652083 10.48110244 12.25677271 -0.23382088 -0.13927358 -0.20556567 Ni 10.49946721 12.23798854 12.26299096 -0.40042257 -0.19554517 -0.33592523