500 Lattice="17.4176564204951 0.0 0.0 0.0 17.4176564204951 0.0 0.0 0.0 17.4176564204951" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2018.9833309111862 stress="-0.007983141782171467 0.0004836782519632526 0.00021493812640772732 0.0004836782519632526 -0.008065508964197618 -0.00011840307316588611 0.00021493812640772732 -0.00011840307316588611 -0.008019258143716502" free_energy=-2018.9833309111862 pbc="F F F" Ni 0.00895614 0.01962717 0.01023273 0.44837371 0.44291540 0.34938488 Ni 1.75960642 1.77527156 0.00523237 -0.12426796 -0.28897879 -0.43029397 Ni 1.75449954 0.03081436 1.70994468 -0.21038566 -0.33550698 0.25366424 Ni 0.03206838 1.74707147 1.72739081 -0.52034668 -0.35171944 0.27449465 Ni 3.45129758 0.03316833 0.03074130 0.06732956 -0.16894696 -0.29366166 Ni 5.19493205 1.72243747 0.01682208 0.11194258 0.32398880 -0.67330251 Ni 5.19909730 0.03478727 1.71071057 0.22724144 -0.49182909 0.38949197 Ni 3.51236095 1.76949951 1.74954368 -0.50570663 0.03445599 0.27688603 Ni 6.97084737 0.04236393 0.01264818 0.03801568 -0.02828349 0.02877769 Ni 8.74076395 1.72961498 0.01552417 -0.27879593 0.40436408 -0.40059065 Ni 8.73781235 0.00750237 1.72722043 -0.51005162 -0.38612832 0.18862684 Ni 6.96420002 1.77603816 1.72360530 0.12016914 -0.40750892 0.17035909 Ni 10.43351787 0.03190384 0.03236506 0.21881567 -0.45423833 -0.36462492 Ni 12.16546519 1.72559957 0.03290072 0.33415474 0.28377209 -0.42812399 Ni 12.16007975 0.00966626 1.77394887 0.37472779 -0.47342640 -0.12302594 Ni 10.47398249 1.72551574 1.72163559 -0.17000051 0.67444654 0.69917899 Ni 13.91806126 0.01243249 0.02652533 0.00855220 0.15542346 0.15490933 Ni 15.68561724 1.76100935 0.03489354 -0.06807578 -0.19200137 -0.02420811 Ni 15.66320749 0.03033457 1.75815491 -0.11417470 -0.00094195 0.07953461 Ni 13.94127955 1.73315146 1.74781601 -0.19633294 0.24787907 0.23908992 Ni 0.02699342 3.46992070 0.04129787 -0.22061547 0.23345392 -0.15080890 Ni 1.70738867 5.24612263 0.03015898 0.16209565 -0.20994592 -0.31674890 Ni 1.71551328 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3.45226000 0.02250809 -0.37577877 0.27772254 -0.22541982 Ni 15.63749592 5.24684063 0.03320415 0.28404705 -0.21696045 -0.28726029 Ni 15.69504825 3.50642105 1.70970932 0.20994199 -0.21755941 0.34953268 Ni 13.95600868 5.24620878 1.76391497 -0.51120569 -0.24710792 -0.09517489 Ni 0.01090839 7.00556266 0.05515723 -0.21618210 -0.15252556 -0.19577513 Ni 1.76825057 8.69886992 0.02639437 -0.07660534 0.32109476 -0.62180185 Ni 1.74156126 6.98603917 1.71314689 0.43961111 -0.22154242 0.65626287 Ni 0.02019330 8.73669418 1.73227862 -0.31449440 0.00869295 0.33935503 Ni 3.48714352 6.93384483 0.00368433 0.16166613 0.19183866 -0.24443400 Ni 5.24897569 8.70470107 0.00379657 -0.26032442 -0.14396031 -0.15623929 Ni 5.24668457 6.96178373 1.73135489 -0.35536331 0.24320904 0.47542119 Ni 3.44987274 8.71959856 1.72945945 0.40034722 -0.11460465 0.45402348 Ni 6.93577647 6.94368352 0.01851823 0.53679383 0.29536657 -0.16369560 Ni 8.71139424 8.71017217 0.00274308 -0.19031892 0.01417559 -0.20992761 Ni 8.71485348 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3.49443010 10.47790265 0.01650468 -0.13737284 -0.37922606 -0.41286856 Ni 5.20902830 12.17164433 0.01573306 0.27677779 0.25945142 -0.20596206 Ni 5.22746113 10.41644703 1.71233063 -0.32836536 0.42416136 0.66990516 Ni 3.45031320 12.20000445 1.72486994 0.31759719 -0.13533366 0.73062046 Ni 6.94839448 10.43684556 0.02007632 0.30421028 0.14932397 -0.30436380 Ni 8.71452159 12.18691804 0.00652031 -0.14239201 -0.04670764 -0.05218406 Ni 8.68121256 10.42024802 1.77309120 0.61326864 0.57660120 -0.09872131 Ni 6.98729956 12.18165147 1.76999256 -0.22694401 0.20857706 -0.25515646 Ni 10.46880861 10.47588076 0.02182701 -0.19634357 -0.14354543 -0.22473294 Ni 12.22041342 12.18468703 0.02459989 -0.23386707 0.27274637 -0.53557223 Ni 12.21638604 10.47518051 1.70796076 -0.20355999 -0.43625301 0.65006464 Ni 10.47687952 12.22450177 1.74787274 -0.59486854 -0.49698006 0.20088990 Ni 13.92423514 10.46434659 0.01630104 0.31474374 -0.25274516 -0.44332625 Ni 15.67428090 12.17919019 0.00605178 -0.11164039 0.06040319 0.13074467 Ni 15.66148654 10.42186248 1.74450347 0.30881165 0.10801295 -0.07431543 Ni 13.94955844 12.18809707 1.73990700 -0.01533206 0.34827480 0.23873150 Ni 0.02098911 13.96392153 0.02057527 0.18475917 -0.28329761 0.18775991 Ni 1.74044780 15.69563516 0.00324723 0.20216403 -0.22311275 0.24693920 Ni 1.72266197 13.96607678 1.77441893 0.22095728 -0.36892055 -0.33897721 Ni 0.00436892 15.70335696 1.71135983 0.12861026 -0.13167021 0.24091476 Ni 3.45866689 13.91102881 0.01127961 -0.04621641 0.32505144 -0.22506423 Ni 5.22962510 15.63901359 0.03884658 -0.30124998 0.25314785 -0.32569378 Ni 5.20002886 13.93494538 1.71716874 0.28677678 -0.27916023 0.44898081 Ni 3.49852433 15.70124420 1.76915552 -0.20720907 0.16560347 -0.26363349 Ni 6.94626889 13.95017475 0.02622678 0.24764669 -0.41819542 -0.31772747 Ni 8.73130307 15.65514341 0.03149627 -0.23969295 0.12416262 -0.14338627 Ni 8.71343722 13.94591475 1.72489189 -0.20508492 -0.32856788 0.43000373 Ni 6.93325834 15.68510411 1.73507938 0.16856771 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