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=84572.26524551242 stress="-1.068948906664653 -0.2812446306052913 -0.8164542472505608 -0.2812446306052913 -1.0093246134739164 -0.3963085525752941 -0.8164542472505608 -0.3963085525752941 -0.9192223906769418" pbc="F F F" Fl 34.98738388 35.17634320 35.23489875 -246.84945348 -193.56603230 -136.34639015 Fl 36.47402575 36.26497567 35.97544435 880.06635247 -482.05758535 -345.18855722 Fl 37.46381198 37.72741429 35.16437721 112.03383917 238.59015238 -256.93538094 Fl 38.91847122 38.90583245 36.08430739 -533.95532575 -369.72543771 911.86344149 Fl 37.53617540 34.66400458 37.28798262 14.35441092 -21.92048367 17.83313227 Fl 38.86240439 36.14822832 39.12724457 -3897.84389656 14251.05718565 -6587.57688944 Fl 35.08116256 36.82812648 36.99020812 -870.35061684 366.23725308 650.14355862 Fl 36.17058119 38.43689910 38.99997450 -168518.98634077 108564.46054311 -122279.29748428 Fl 39.71275839 35.55190138 35.57529634 -14753.69002852 -8555.23704774 -5391.74533976 Fl 40.92686967 36.25614035 36.01914020 14743.42810547 8549.22008048 5389.46071652 Fl 42.56035250 37.59472216 34.76759385 -53.08495700 -72.01419614 -58.68670170 Fl 43.70985954 39.10573285 35.76120645 68.77672041 60.54624457 19.41319606 Fl 42.70316966 35.00331165 37.38727147 -1.82833710 -5.28613294 -2.37893476 Fl 44.17889319 36.07327162 39.13850774 23.31026347 -14.84204398 -4.87573148 Fl 39.70819469 37.35448994 37.88677157 211.54081072 306.48396821 -307.52433403 Fl 41.10141417 39.44648818 37.98608061 -38.65918961 -14.95625646 7.00258248 Fl 35.83564204 39.90199199 35.32387380 20.90683541 -238.99995912 -148.91560947 Fl 35.69345965 41.59684681 36.39033770 7006.62613526 -10007.08171341 -9826.15180361 Fl 37.83144979 42.84137356 35.16087720 -232157.11924970 -285879.02255555 -235164.29288331 Fl 38.44380776 43.59542623 35.78116751 232157.91619158 285876.13335434 235166.77973478 Fl 37.68548639 40.02846284 37.88114117 -4670.82696168 -2851.88083534 -1676.89211596 Fl 38.99329132 40.83120601 38.35191406 4670.65777771 2851.32952914 1672.15453896 Fl 35.03868527 42.55177169 37.32035065 -7211.74331154 10080.85099891 9746.09045131 Fl 36.12758197 43.50428897 38.67355844 108.57892662 205.34446601 192.83557861 Fl 39.92857499 39.62057981 34.76495593 654.34578368 461.84049129 -852.73782794 Fl 41.22768194 41.86607930 35.76917013 -3283.14430338 -96.72955930 1833.81944341 Fl 42.66392019 41.89364007 34.94649166 2966.15843679 -304.94144209 -2211.68629082 Fl 43.76079116 43.06850034 35.96401328 342.01010596 365.84559156 318.98301100 Fl 43.18218759 40.26338761 37.67211068 -7254.68930243 -4154.84458020 -26264.49216133 Fl 43.55839582 40.47987759 39.02848195 7300.59838227 4177.58408649 26282.60248205 Fl 40.44416904 42.79169229 37.60747523 -57.76457067 14.26043373 7.10164512 Fl 41.56455541 43.47669941 39.39472075 -3139.07987869 3602.45913053 -2091.93777801 Fl 34.88485958 35.24990471 40.14005351 -80.02394185 -101.70495960 -197.47359820 Fl 35.58505944 36.13783187 41.83078112 816.48573376 -4001.77921837 -2186.88244168 Fl 37.03809898 37.87786515 39.62930581 168536.68834865 -108604.26906972 122268.20298726 Fl 38.73963002 38.94283613 41.80076904 -1817.07874215 -1577.95155713 2067.76548812 Fl 37.01220162 35.49325614 43.29368357 -12209.67975625 -5858.83925544 -10399.61667061 Fl 38.06919551 35.99435864 44.19497923 12285.51637894 5825.82816755 10475.54746999 Fl 35.31136837 37.53873907 42.61088501 -1348.01611135 3667.24626010 1280.40154712 Fl 36.08812472 38.22284921 44.08354615 541.02401318 474.55871400 1022.02404736 Fl 39.19217163 34.84384453 39.74604248 3683.05121214 -14565.35556029 6910.44487494 Fl 41.71280033 35.82094026 41.48518045 -223.76078551 575.51380067 -1663.77984081 Fl 42.63106787 37.59090575 40.03511792 -172.25616538 -832.27956978 -1026.57000483 Fl 42.83687445 38.73280705 41.39752725 925.55158734 -5787.97524896 -5507.49470941 Fl 41.93686298 35.23698669 43.12318563 -1806.36513536 -1012.68490729 983.17460982 Fl 43.54555420 35.56339231 43.65727281 2039.05701218 414.71243641 676.58675884 Fl 40.32379524 37.14357743 42.99285009 -38.47307816 -48.41150810 -1.12438284 Fl 41.12482954 39.18774568 43.29643649 -488.46736731 -140.62954772 277.33354986 Fl 34.89329933 40.07848769 39.90229224 -125.08450294 -38.56173038 -59.26908037 Fl 36.31129031 41.14842934 41.03008803 -15.05954488 160.91066061 -215.85373041 Fl 37.86680869 42.57198629 39.55756008 5.84123927 -165.89374821 -294.54790128 Fl 38.23047740 43.30054940 41.34824507 -153.42913975 213.24806076 265.42635538 Fl 37.19357505 40.41639742 42.65614018 -2914.44495261 -2305.62081977 -297.52036840 Fl 38.51566750 41.38170068 42.90623709 3003.73587700 2181.22571969 597.63994218 Fl 35.04300972 42.33744343 42.46895324 -320.89720412 -541.02563034 -249.20094988 Fl 35.82936550 43.86657719 43.22819228 293.69605202 567.05070887 281.03130585 Fl 39.70956471 39.76010576 40.70209297 1692.14271313 1502.69258594 -2124.49748101 Fl 41.63564845 40.38295659 41.21881043 -919.69304984 704.93371997 -1086.45416997 Fl 42.54176459 42.37268352 40.05627955 -2938.93716261 -6326.53659177 -1620.53797286 Fl 43.78746274 42.93811334 40.82610940 6103.32707965 2767.79103288 3773.21993920 Fl 42.72914227 39.81857943 42.49571370 804.43354793 6188.88476973 7395.65342750 Fl 43.47118243 42.01709708 43.87315297 -0.93691168 1.54983154 -0.84030323 Fl 40.09156029 42.73635144 41.93581764 239.53108495 -57.19780117 27.90158514 Fl 41.01094821 43.82942298 43.81015235 10.82831737 11.43260714 20.88841874