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=219.7584972041198 stress="-0.0016555583089787025 -0.0002887631413166833 -3.520466557328235e-05 -0.0002887631413166833 -0.001596324801552539 -0.0001365454820555204 -3.520466557328235e-05 -0.0001365454820555204 -0.0010027076770649215" free_energy=219.7584972041198 pbc="F F F" Ti 35.46244998 34.98440772 35.07139711 -21.29393019 -22.56466028 -12.19247838 V 36.41085912 35.99491476 35.64451951 20.61365043 22.16165111 14.32456697 Ti 38.19776536 37.46980417 34.78870339 -0.04720988 0.40479385 -0.82586470 Ni 39.39029177 38.84831686 35.90024735 -10.51379974 -36.96365884 5.04671584 V 37.18038458 35.17546400 38.33912286 4.38804059 1.00010990 -2.33208543 V 39.24384792 36.65931129 38.47663850 -191.57888562 -177.83821848 180.21060037 Ni 35.38416047 37.99985301 37.86199607 -72.61579115 -147.28884536 -113.26053299 V 35.76777967 38.76293816 38.44789754 71.82850286 144.52619709 113.12218706 Ti 40.15602850 35.16912999 35.03087230 -0.04039330 -1.40094029 -0.54524812 V 40.66618722 36.69691844 36.84081062 24.38744131 -10.79172344 -31.57071503 V 42.72313314 37.55286471 35.46638046 -5.28071559 -4.59536988 -0.74171867 Ni 44.03443912 38.96557728 36.07759058 3.84931499 5.19399266 2.76701142 V 42.73893474 35.54656592 37.26581898 -16.08373275 -5.98402657 -20.16064808 Ni 43.71942353 35.98881262 38.56735729 13.85019301 7.29308551 20.10838360 Ni 39.76110187 37.15736209 37.99338490 164.45350316 188.72001912 -149.51931752 Ni 41.42438244 38.35623089 38.22968095 -9.84651622 -24.22056157 4.87249224 V 35.32374371 39.67355855 35.22952790 1.57240539 -0.68100711 1.15782436 V 36.47034448 40.92159956 36.71746451 -74.34331562 60.01962470 -28.68589214 Ni 37.76823434 42.10757040 34.80327736 0.00988408 -1.24585428 -0.80406018 V 38.88863793 43.45006508 36.46268889 -10.57533288 11.36492801 -1.17291094 Ti 37.26079084 40.31221905 37.04462998 67.49699254 -61.55852776 15.59841965 V 38.06874053 40.86417837 38.52118984 8.72442114 3.29168734 14.56658705 Ni 35.08199144 43.41411681 37.18973402 -16.15360065 -4.70339532 -13.14217374 V 36.37104454 43.85824967 38.27861246 -1.40964803 21.87494180 -7.45388139 Ni 39.81731838 40.20449584 35.77676003 6.37613008 30.34190129 -7.55974131 V 40.89064985 41.55925560 36.58441910 112.85551151 -64.73792808 -49.90371481 Ti 42.55381101 42.38247265 34.77632458 -1.50947940 -2.38057720 -2.91263720 Ni 43.22288147 43.46534422 36.37028839 1.25059566 1.50022248 3.63438922 Ti 41.98032269 39.48518138 37.99254333 13.82730141 25.96586577 -5.64431346 Ni 43.78421145 41.12644139 38.49996857 0.84965393 -0.59255312 -1.76057650 Ni 40.01384861 42.15589419 37.04751171 -97.91066364 55.87327607 57.85109046 V 41.23527136 43.71711037 37.87017626 0.96105763 4.26279865 1.80383819 Ti 35.23722392 35.07061350 39.44815005 -3.63078965 0.42002623 0.67000693 Ti 36.13941732 36.17447325 41.71507767 17.26173038 -17.59474405 -5.56533490 V 37.67460796 37.89871001 39.12534417 0.05318218 0.49130680 0.37584685 Ni 38.38884497 39.38207985 41.13437537 -3.94732760 3.63519834 -1.38794671 Ni 37.71912004 34.98033200 42.13285484 4.46973411 -1.89279796 0.67506429 Ni 39.11815785 36.93608661 43.93574166 -0.93228469 -2.45211906 3.26880327 Ni 35.28137655 37.13249784 41.93228023 -19.11457256 21.98960334 5.37813185 Ti 36.09776867 39.70299266 43.17817151 -39.55463130 -9.33074054 2.85041986 V 39.44492469 35.46485867 39.74793067 -2.93456081 -3.20658166 -0.99280854 Ti 40.93686992 36.19692179 41.24506414 -13.79556182 8.22821853 -4.20629100 V 42.57821767 37.21473899 40.80879273 1.33249176 0.02484664 -7.23394568 Ni 43.87666152 38.29862327 41.71580690 8.00141009 4.52646459 2.70418480 V 41.96886392 34.97246750 42.03124344 10.43764234 -11.25948695 8.86298726 V 43.62368477 35.53275964 43.67645945 -1.97860549 0.44733394 -2.16713936 Ti 39.37235508 37.91361788 42.20726499 -1.02966375 0.25620760 -1.94521387 Ti 41.54629806 39.26675154 43.00490200 -25.09274679 -7.72623193 -4.54267047 V 35.07082373 40.33980454 39.47513909 1.04462573 -0.03395514 -1.66023575 Ti 36.69030041 41.33451179 41.00470912 2.56343346 -0.85926617 0.70578245 Ni 37.26263970 42.93456476 39.25852797 13.71285142 -17.31186489 14.74129168 Ti 38.42336572 43.33551265 40.86981835 0.05609115 2.03246969 0.28877580 Ni 37.19185000 39.95657803 43.08842376 36.63177111 6.19439525 -2.74335755 Ti 39.01337957 40.71570510 43.52993825 1.04312313 -0.59952191 1.07945172 Ti 35.26113903 42.59174163 42.76955605 -6.87601488 -5.03420017 -7.75192569 Ti 36.26051497 43.50896180 44.02755869 7.64507837 4.85408224 7.45932741 Ti 40.40507120 39.60074918 40.22823619 -0.94250843 -0.51019568 -0.64375194 V 41.33960697 41.13369832 42.20831887 7.77210110 -0.31680691 -2.16481570 Ti 42.83472687 42.29420376 40.27062039 -6.40501635 -6.71751198 -5.04280652 Ni 43.71263114 43.49866707 41.15185828 4.57161734 6.67974866 5.54212026 Ni 42.86713536 39.23522884 43.33819793 21.82799858 -10.33803710 7.85396861 Ni 43.38478330 40.91652408 43.42886650 3.47953582 11.94042609 0.56003888 Ti 39.95107620 42.44811263 42.24939023 -4.42289566 7.24671653 0.16930267 Ti 41.86831790 43.14133033 44.01591802 0.66117663 -0.03023015 -0.01285675