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=150.6382326506668 stress="-0.001237143373395508 -0.0002199557055630372 -0.00021607034257606507 -0.0002199557055630372 -0.0012978307953764767 -0.00021032150663816173 -0.00021607034257606507 -0.00021032150663816173 -0.0009905426250886062" free_energy=150.6382326506668 pbc="F F F" Mg 35.02506438 34.65216620 34.95656415 -0.36716919 -0.85907138 -0.76404702 Mg 35.86339674 36.31248594 36.54337850 15.88310063 -49.26598125 -19.66709476 Mg 37.16204165 37.32702576 34.83578696 -1.63836761 -1.40946835 -3.97820667 Mg 38.55667300 38.33953061 36.09400601 2.91019843 1.90411952 1.36482581 Mg 37.60102379 34.82082070 37.55153678 0.43017018 -1.05993650 0.20723868 Mg 39.18226724 36.56262876 38.95619277 -16.09261272 -9.53331094 21.87781421 Mg 35.46250734 37.42996730 37.02050524 -20.34744546 48.31269448 17.62248212 Mg 36.55470043 38.19396620 38.62845661 -4.27983902 0.47082655 -5.00264400 Mg 40.44856470 34.73208303 34.63321208 -4.06780820 -2.40453869 -2.98332939 Mg 41.90055702 35.61576784 35.80198181 -7.05384043 -4.95007977 -1.06739183 Mg 43.04415053 36.91623343 35.22135140 6.21436342 -0.02425046 -9.80749891 Mg 43.25324849 38.54177007 36.14569458 3.79551250 5.39949325 -0.77909191 Mg 42.62688870 35.24420211 37.55735975 -3.84849165 -12.96504474 1.20659462 Mg 43.44415999 36.60373837 38.30366480 7.87914927 10.74290285 7.69248998 Mg 39.93962952 37.05043688 37.76926256 15.16559726 9.16265198 -24.06204765 Mg 41.49422876 38.68951969 39.18566664 0.12376882 -8.34349901 -7.91653038 Mg 35.11165087 40.15406017 35.50505051 -9.26911262 -14.65598779 -5.37604358 Mg 36.00099544 41.51069512 36.01704072 8.59793100 12.90340563 4.91211392 Mg 37.73100450 42.75313497 34.83523384 -11.12600327 -11.23521714 -13.80308461 Mg 38.64468676 43.66090176 35.85022693 11.68755962 12.75883384 12.29043310 Mg 37.99401899 40.05981635 37.95966362 -5.90685712 -8.87255429 -10.02220492 Mg 38.69418602 41.21038169 39.07593884 3.87894401 3.27994150 9.68088019 Mg 35.30782606 43.07101236 37.78806782 -2.75261204 -0.45931638 -0.86839634 Mg 36.91840230 43.85147121 39.10667651 -0.26410465 3.33722466 -2.08720787 Mg 40.24703989 40.09782624 35.03809516 -0.10310514 0.20661070 -0.68966582 Mg 41.64222831 41.14153879 37.08175531 -2.00306241 5.54337840 -2.14761789 Mg 43.17943826 42.51740826 35.18313107 -2.23075957 -11.61425091 -5.83971660 Mg 43.49346411 44.11570761 35.98465701 2.18129509 11.68484383 5.84742367 Mg 42.52607342 39.47660077 37.74577754 4.65888288 1.29298302 1.08369387 Mg 44.06179115 41.09892749 39.12530580 1.05153449 -0.92116385 -0.83752029 Mg 39.42025545 42.19140599 37.60040952 3.77992131 5.00847772 -5.77422551 Mg 41.55459930 43.75005235 39.19568950 -1.82340007 2.05552661 -2.45204298 Mg 35.38916463 35.02144307 39.67569079 -0.73248250 -0.91255078 -1.89987863 Mg 36.24098509 35.90255162 41.62629637 -20.05630007 12.61865396 -16.66385205 Mg 37.57646539 38.31503903 40.17537586 -4.02882488 -1.76101447 -1.15754754 Mg 38.69778679 38.55679343 41.51743526 -33.93428856 31.55762184 2.88423962 Mg 37.27091491 35.25931347 42.48219612 21.47748232 -13.68603305 17.91957515 Mg 38.98878710 37.20175970 43.79120077 -0.07189486 -1.10206435 2.34948825 Mg 35.47011920 37.77494287 42.82885977 -14.06260776 -30.16275842 -12.36252729 Mg 35.96217817 38.99534793 43.34925565 5.80305400 24.31906037 19.34638709 Mg 40.43452264 35.18830709 40.33283056 -2.57473778 -8.22634250 -3.45348218 Mg 40.99524624 36.82399117 41.24836963 7.17135046 -10.12497192 1.39553986 Mg 42.32086846 37.96364915 40.66120196 -11.75825977 -12.30443369 -3.82300142 Mg 43.55225042 38.66740554 41.09428532 25.64354722 13.78454821 8.93602265 Mg 42.38035160 35.33821054 42.00109227 2.26275294 -3.38839310 1.36069955 Mg 43.96863315 36.36090686 43.40223670 1.51339530 0.92451584 1.24612998 Mg 39.77161111 37.84588609 41.63663480 29.34032038 -17.68622057 11.08345772 Mg 41.30611313 39.18536562 43.77546990 -0.48309916 -0.44803840 1.06564162 Mg 35.06796271 40.19010532 39.65507334 -1.66979249 -0.45115947 -0.58041525 Mg 36.59510147 41.62720882 40.78962371 -33.53411473 -16.72651889 7.94320316 Mg 37.78465481 42.24714107 40.48336581 28.98002688 10.20952365 -6.03540976 Mg 38.40115017 43.91943643 41.00175424 5.35609319 10.76917515 4.86445129 Mg 37.07826346 40.04901568 42.35056079 6.51388204 5.85250636 -3.41673291 Mg 38.60275604 41.63130549 44.05007720 -4.64557091 -3.47852333 4.76942100 Mg 35.18718318 42.39756635 42.58828474 -2.02747390 -0.53105870 0.12781326 Mg 36.21051048 44.14109333 43.89925511 0.84283344 1.18141247 0.96182364 Mg 40.38245339 39.91778610 39.75913888 -8.78632181 6.36803842 1.47510768 Mg 40.94043641 41.14276173 41.32091947 -9.33172409 2.86943206 -1.03118046 Mg 42.59090096 42.46788794 40.63127006 -11.03306488 -5.17451331 -3.17897895 Mg 44.08432598 43.26137985 40.90899382 15.40415304 8.95004661 3.22329396 Mg 42.55998191 40.74150265 42.19337550 3.59403156 -7.16550864 1.50265694 Mg 43.83500523 41.49933997 43.44109235 5.51782134 3.59959152 5.78638941 Mg 39.86257624 42.57937557 42.85325702 2.46928230 3.56281145 -3.99899730 Mg 41.65422609 43.56904945 43.93829427 1.77719400 1.27292254 1.50028066