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=70.14871097822044 stress="-0.002213536872025152 1.6225385027392454e-05 -0.0009465068328520173 1.6225385027392454e-05 -0.002150084515941785 0.0005187823787743483 -0.0009465068328520173 0.0005187823787743483 -0.0017015820498415617" free_energy=70.14871097822044 pbc="F F F" Ni 35.22086729 34.98310996 34.77096654 -6.59508350 -5.99903115 -10.15690745 Ni 36.15142137 35.93572417 35.98055861 -10.32263675 -36.17966954 37.94362647 Ni 36.67756578 37.22516294 35.23402360 16.26831212 43.74642703 -27.18393599 Ni 38.60714772 38.38846909 36.18004449 -9.51440329 7.14696776 -5.81923386 Ni 37.66099888 35.43120791 38.14671993 -123.29250900 -53.71913245 -74.28159511 Ni 38.78275119 35.88656467 38.85899891 119.03476937 65.21449695 55.98237889 Ni 34.86273032 37.66171571 38.07174639 2.58369388 0.31614167 0.58806077 Ni 36.55604684 39.07636534 38.99475015 -84.28570115 194.26364935 -111.90186349 Ni 40.05873752 35.10223056 35.25284888 0.17844593 -0.01264663 -0.27187027 Ni 41.57116719 36.00454661 36.78983070 -9.41177662 5.32237928 -15.37317827 Ni 42.51432400 36.93324962 34.69615509 -0.47239059 -0.07593601 1.49869109 Ni 43.42712388 38.91385061 36.22088890 -0.18098654 0.39109483 -1.27485658 Ni 42.73578848 35.79150318 38.24752218 -115.53682730 -34.98809976 -57.91496274 Ni 43.92497022 36.06567967 38.95948504 126.62165251 29.01509141 70.70816398 Ni 40.03690210 37.71350978 37.13730575 -2.32861243 -21.71884469 -17.01196265 Ni 40.80220443 38.42873123 38.46341174 13.25818022 15.47334328 23.66729974 Ni 34.82624793 39.49365118 35.42673195 -19.83564089 -21.80070450 -18.29845191 Ni 35.82447290 40.48365875 36.32972720 19.75206176 22.35527792 18.28116309 Ni 37.04272155 42.62085647 34.71585688 -0.47151888 -1.08969233 0.73648690 Ni 38.61643991 43.32327578 36.40123177 -106.00928838 65.89873322 -70.22201430 Ni 37.95366604 40.22421110 37.43318260 -7.00471501 -7.12088280 -6.83398660 Ni 39.18297782 41.03855533 38.54078463 7.48186133 5.48973370 7.70417251 Ni 35.23453568 43.29747839 37.16108406 0.96507159 -0.72143240 -0.06854490 Ni 36.27203080 43.30690388 39.45797705 -2.71648525 2.28990696 -2.28113864 Ni 40.03993614 39.85675485 34.70374204 -0.29086959 -0.41553900 1.55433968 Ni 41.60365422 41.12475624 36.89236521 -29.23992148 37.30803608 -26.02630973 Ni 41.89441790 42.95778464 35.21154494 -3.89121859 -1.31882055 -0.77994067 Ni 43.71638199 43.49207206 35.87683091 3.43832728 0.67387906 1.52994702 Ni 42.53026161 40.09122498 37.61912135 -19.89540681 -69.41985431 9.74941494 Ni 43.81761936 40.81177722 38.09615174 47.89389608 30.88411120 17.14470430 Ni 39.66448343 42.68403127 37.11226018 106.54923082 -65.92275928 70.64956220 Ni 40.97555741 43.51974443 38.82071427 -13.61738928 10.75129294 -3.90480822 Ni 35.47021830 35.28385994 39.13921903 1.22122051 1.84914874 0.77715422 Ni 36.60375298 36.52492389 41.15965068 -7.13300097 5.90513016 -1.89847869 Ni 37.00297454 37.99791377 39.62151619 84.50275838 -190.50654512 107.23765065 Ni 38.88279835 38.70029955 41.56809651 -11.00400583 -12.29485022 10.58436083 Ni 37.24461314 35.06060018 42.12389558 5.85259097 -8.41607322 5.54131240 Ni 38.71803191 35.98191809 43.68127828 -16.28899736 -16.25591977 15.29868599 Ni 35.13825790 38.07984378 42.52824247 0.54708159 -0.20885195 -2.23970677 Ni 36.49925153 39.29583664 43.54655608 -68.95231050 -53.69855226 81.99500181 Ni 39.41284510 35.31609597 40.40966620 3.14193728 -9.92057454 19.74995787 Ni 41.48837336 36.00831489 41.43404765 -45.45975954 75.11301578 -39.38880198 Ni 42.84911873 37.33044694 40.00188161 -6.40741113 -4.01602969 -0.26056433 Ni 43.55001876 38.94665638 40.87560955 3.04204040 6.00620942 2.80375796 Ni 42.20384740 34.85081933 42.03810700 45.67296990 -73.07462711 39.33034563 Ni 43.81994877 36.24940978 43.88344966 -1.12967822 -0.45083044 -1.11426483 Ni 39.67753438 36.98247057 42.68814946 18.25609111 14.58889804 -15.98768320 Ni 41.25448042 39.01508942 43.75234525 -1.37216890 -4.43868388 2.45984076 Ni 34.74337686 39.85362037 40.18467774 -13.02944558 -30.84024731 -6.23423004 Ni 35.46691157 41.32905582 40.50773197 16.79903836 26.85565327 3.03280780 Ni 37.64811637 42.01817168 40.27161489 0.68369116 -12.09936409 -1.13610335 Ni 38.34608634 43.71685713 40.67287335 3.85019071 8.24520814 3.04823312 Ni 37.36102597 39.94186987 42.58028378 69.65672281 54.92242494 -81.96700040 Ni 39.71419844 40.38268411 43.39792657 -1.85421794 1.33530646 -2.95345529 Ni 34.82758830 42.35295238 42.05413934 -1.52780053 2.33714329 4.56957596 Ni 36.70834461 43.95484767 43.58445220 -0.29326178 -0.82151881 -1.38721256 Ni 39.70549175 40.04527080 40.72110304 -7.57462035 2.04270011 -14.93091698 Ni 40.89974943 41.22892384 41.12165250 62.80401679 -60.71367542 -79.44274047 Ni 42.34497277 42.45681557 39.26778844 12.74405222 -11.44292888 4.40955695 Ni 43.64260964 43.84306647 41.60697114 -0.87925855 -0.92158645 0.35666525 Ni 42.26459378 40.20201412 42.51948547 1.41422815 3.99100706 -3.49317570 Ni 43.87725473 41.77735174 43.86983378 -1.36663655 0.19729959 -1.05947426 Ni 40.39757659 42.11536967 42.13716159 -46.08340709 71.56500137 85.03790622 Ni 41.49947850 43.65939049 43.93558996 1.05522890 -0.87080445 -0.87145477