64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=74.95554944695786 stress="-0.0015512947934482027 -0.0006662640874607476 -0.00011609889453738682 -0.0006662640874607476 -0.0024270723700755624 0.0006110435748810334 -0.00011609889453738682 0.0006110435748810334 -0.0011962438163170698" free_energy=74.95554944695786 pbc="F F F" Ni 35.11661253 35.65048521 34.93847651 -2.22607164 -0.11293536 -0.63828899 Ni 36.90754519 35.93572417 35.98055861 3.14903810 -44.45678497 25.00192128 Ni 36.86679614 37.22516294 35.23402360 -6.64862325 41.71765422 -29.06812357 Ni 38.18560936 38.38452161 35.90542369 3.33825086 6.56061334 1.64309180 Ni 36.89899635 35.13596532 37.91316453 -2.69012662 -1.64669726 2.73403698 Ni 38.77850226 35.97432056 38.25918199 0.19121771 2.68747266 -2.47378944 Ni 35.03359145 37.45952982 37.41086823 0.78447051 -0.20593238 -0.64088820 Ni 36.55604684 39.07636534 38.99475015 -49.15578869 112.07407874 -66.64266914 Ni 40.74718133 35.61218336 34.70422448 -19.39988899 -6.55863812 -32.77684057 Ni 41.52133273 35.87600492 36.00621983 14.88288225 1.61222596 36.50430833 Ni 42.58462843 37.17338455 35.26985725 -3.56111009 -11.03702078 -14.04310412 Ni 43.19909449 38.42606273 36.11892546 7.48913889 16.75270016 10.60876407 Ni 43.06637556 34.90519953 38.22779677 -1.35449694 -1.71279806 -2.24454417 Ni 43.93274324 36.35588191 39.31584150 9.89333262 -6.48293893 -4.04416094 Ni 39.75429902 37.55330094 36.96378781 3.18237495 -1.05330107 0.58935746 Ni 41.21629438 38.29281093 38.70172924 -0.06468875 1.03268846 -0.25138592 Ni 34.80866089 39.86041243 35.43950987 -1.05466142 -1.53227297 -0.43292279 Ni 36.23987086 40.93914974 36.52387043 1.64229430 0.45118759 0.64879264 Ni 37.17590724 42.27208315 34.94479467 -0.52208858 0.11466994 0.18556759 Ni 38.61643991 43.32327578 36.40123177 -57.30097557 35.42672893 -39.11857336 Ni 37.95366604 40.11219876 37.96253029 -18.44688210 -12.18733673 -18.08453549 Ni 39.18297782 40.79320854 38.78264665 32.67584323 4.75395001 7.74396549 Ni 35.36410103 42.89331720 37.32748068 -0.84467503 -1.36795818 -4.64415439 Ni 35.65095716 43.59799158 39.11704635 1.17598865 0.82755153 4.39712614 Ni 40.78547198 39.84579501 34.94320591 -0.50013520 -1.68196097 -0.15619993 Ni 41.60365422 41.12475624 36.42546985 -6.42248748 4.97253244 -4.18253882 Ni 42.48538994 42.63113677 35.37459014 -5.41711196 -2.56152023 -4.45946370 Ni 43.90396079 43.52926143 35.92419193 7.23714700 4.56286761 2.83160106 Ni 42.48372444 40.09122498 37.66216459 -1.21018949 -9.09563341 2.05287591 Ni 43.90062786 40.63033901 38.74451806 5.52646680 2.67929714 4.70559480 Ni 39.66448343 42.68403127 37.11226018 57.84944319 -36.37669690 39.30108908 Ni 40.97555741 43.26550020 39.11758609 -23.34751978 12.86370797 -6.82548019 Ni 35.16811595 34.94539959 39.91341215 -3.24021854 -8.95212462 -3.38975345 Ni 35.82172392 36.55212805 40.42870581 0.96842993 6.01598927 5.35387468 Ni 37.00297454 37.99791377 39.62151619 51.35115067 -111.91966017 65.30272733 Ni 39.02065167 38.60577767 41.29500059 -88.27591207 -143.53103672 142.01350132 Ni 37.51321923 34.98217016 42.37512411 -1.23289396 -0.59186224 -2.65741154 Ni 38.64441705 36.05335116 43.72395897 0.86511199 0.94667537 1.70312235 Ni 34.73616291 37.58346335 42.43674879 0.71804867 0.73981019 -1.18438046 Ni 36.65940811 39.29004561 43.51200622 -288.32765992 -340.56542630 57.61749682 Ni 39.06752490 35.33031830 40.11254534 0.79400280 -1.82684961 4.66445443 Ni 41.48837336 36.00831489 41.43404765 -23.86218844 39.09016627 -21.23229401 Ni 42.84911873 37.48948147 40.08743624 -12.30991664 0.27135866 -1.13767751 Ni 43.25321050 38.78794492 41.25761029 3.73918626 8.60069519 7.02863195 Ni 42.20384740 34.85081933 42.03810700 23.87329060 -39.30060510 20.85135691 Ni 43.16488485 35.90213850 43.80296847 -0.27137644 0.21202152 0.05354671 Ni 40.29513978 37.46544053 42.93996867 -8.78252798 -20.53587578 -8.78897486 Ni 40.93443672 38.83448390 43.55322159 9.08827327 20.80854695 9.53948333 Ni 34.80050585 39.40587130 40.15556813 -1.79092689 -0.48449071 1.72844134 Ni 35.45273744 41.64055212 40.54146794 -0.01419963 0.62283927 0.24829410 Ni 37.88668194 41.77485903 39.33080573 -12.57755695 10.87308099 7.62649587 Ni 38.76322980 43.50285880 41.26653792 -0.60623649 -0.18464899 -0.48997837 Ni 37.36102597 40.11915374 43.37211104 280.01848766 335.58897705 -60.64737788 Ni 38.88255100 40.92242142 43.92135118 7.94181420 4.97803582 3.17934235 Ni 34.65269139 43.09084808 42.53370548 0.71993252 -0.43674281 -0.44621854 Ni 36.71475833 43.37291030 43.59749008 0.44106508 -0.42115952 -0.66861453 Ni 39.51733780 39.41770585 40.48630095 87.28261914 142.34786664 -142.19032613 Ni 40.89974943 41.22892384 41.12165250 26.23374363 -44.29910899 -51.74385363 Ni 42.34497277 42.54743104 39.52257624 23.59627714 -12.72849404 8.07020525 Ni 43.91965422 43.52342416 41.62777545 -0.61975483 -0.79731329 0.23281614 Ni 42.25502249 40.59144817 42.75632017 0.25239347 -1.71550852 -1.36242275 Ni 43.58740085 41.59035906 44.05364638 0.80017250 1.59621130 0.53688152 Ni 40.39757659 42.11536967 42.13716159 -26.22902849 45.04019946 52.41266317 Ni 41.00149161 43.83804420 43.82156310 0.60603028 -0.46106688 -0.44448081