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=252330.44008325154 stress="-2.215261799351864 0.23187162141234677 0.39398294498072994 0.23187162141234677 -2.547496569301222 -1.127162012479358 0.39398294498072994 -1.127162012479358 -4.1636457655751595" pbc="F F F" At 35.28541034 35.31201416 35.15155647 -301.18645884 -242.93893507 -154.73788209 At 36.82921937 36.49210728 36.07387309 -13628.89431758 -127635.62194648 221621.99883085 At 36.82969717 37.19014293 34.97908080 -17.99367242 158298.42745425 -248454.08255448 At 38.45765491 38.02488171 36.24716524 -27638.32963577 26510.58802993 -50107.38820829 At 37.30771935 35.41876192 37.01339220 13643.74289198 -30656.44319097 26806.83722600 At 38.91620636 36.21372780 38.83151409 -251.40294961 -1496.48399856 1794.71688083 At 34.96009905 36.83854170 37.73421279 -130.32787254 -141.86359645 -6.52469506 At 36.24217153 38.65647628 38.09599930 72.91018682 107.54489323 64.18491223 At 40.15156052 35.50983480 34.88813076 -128.14388611 -36.07175490 -170.60492404 At 41.43137381 35.91201215 36.66873696 -300.47411135 583.29890115 -539.25436592 At 43.31569333 37.26430852 35.26574945 -34.34572472 -192.22378353 -107.57290990 At 43.69997879 39.19944212 36.29302597 429720.59595043 -194016.14746475 -488327.52673121 At 42.27172678 34.81734124 38.11342174 377.09859347 -588.00313365 683.11424708 At 43.65712987 36.30004585 39.40295687 17977.05859033 -25800.19391292 -48066.76939983 At 39.10334379 37.41553978 37.40704521 28217.81904724 -24858.44938669 48445.27598387 At 41.70176960 38.70462202 39.21645460 -12.40683137 -8.12495812 9.98743319 At 34.88601223 39.89826096 35.43652890 -169.78945100 -131.18195951 -19.87811077 At 36.66230509 41.22783778 35.66571079 -2893.63406828 2902.58619898 -3243.31756383 At 37.36699698 43.06707066 35.11073005 -2057.81012072 -2080.91188645 -3275.19165581 At 38.23731456 44.09474235 36.27361147 2279.49604229 2747.57233736 3071.35896526 At 37.54866594 40.15555899 36.73655482 2812.38750690 -3313.89976778 3453.10189514 At 38.73678457 41.15874591 39.18307205 19148.40948837 -18652.07435546 -56884.30571552 At 35.20796335 42.44485319 37.28245821 -37.72626372 6.14622428 0.81993835 At 36.53503564 43.33605497 39.23855798 -245.30703699 201.04321178 -132.15700764 At 39.31922764 40.07072402 35.03558185 7.30723090 -22.93231312 -89.84344311 At 40.63042193 41.58558275 36.35237234 69655.43358075 -84090.89350644 -75458.03731595 At 42.23531367 42.60243626 34.90444581 -271.02011576 -244.61096798 -375.68232404 At 43.48887268 43.67752135 36.18572604 319.91489308 274.76339991 332.80771190 At 42.92922840 39.54781417 37.16915976 -429672.99047286 194221.71284927 488405.62953705 At 43.57332818 41.19289735 39.32668538 134.43728487 -259.53955093 -72.86865240 At 39.90637826 42.45963978 37.13755091 -69650.66537337 84062.63303041 75545.37884141 At 41.21483618 44.15799840 38.56274869 -373.23063652 348.91306724 -347.12267304 At 34.93603405 34.88158877 39.90608321 -398.64430414 -406.67555328 -261.09223398 At 36.25258673 36.22336933 40.76449266 -44324.84713550 -70547.41065380 11271.00230043 At 36.99516528 37.42652180 40.56476754 44217.21708745 71701.73234447 -11927.89062820 At 39.11686516 38.42344138 41.07935566 -451.22489477 -563.78289629 -155.93170317 At 36.96804460 35.01148809 42.13267163 452.73021022 -789.68242876 871.11163242 At 38.42583202 36.07983350 44.01810778 11.07247042 5.65286805 11.81413538 At 35.13811541 37.84155877 42.50900462 -1287.58694849 -378.32869151 -1016.39535730 At 36.57765704 38.24878680 43.71175044 1286.30979636 366.30191394 1067.26361280 At 40.54457876 35.28668196 40.43057458 -154.62155131 -286.43899496 -128.28351602 At 41.60196486 36.93216172 41.32732135 -5631.87924297 196.21242727 2635.60747637 At 43.19789716 36.96165138 40.63442886 -12888.19103948 24296.34153373 45310.78335413 At 43.99280433 38.67448013 40.91812671 766.99379348 1650.57502259 273.44438598 At 42.28278772 34.82651572 42.37230795 -42.60560207 -132.15197353 -50.91447949 At 43.40922721 36.23243350 43.80844542 64.16981745 86.55343774 81.25481094 At 40.01045863 38.15077562 42.87621417 -13734.84203051 -6741.17550295 -7179.31516762 At 41.30884500 38.76380872 43.60738198 13669.38808788 6354.91176185 8033.07494059 At 34.76615837 39.16689536 40.46256179 -7.82191771 28.65757809 -37.88400132 At 37.18919522 41.30080774 41.88166648 -67980.65967821 44287.98879055 -28800.39548939 At 38.04282658 42.04426160 40.09653921 -33540.26192760 41312.11268851 43353.68646830 At 38.43656820 43.79419734 40.78380325 380.54616324 1549.69578567 633.73833769 At 38.31161080 40.56379256 42.36359057 60924.61700800 -57583.60010461 9959.09443009 At 38.75480946 41.41498018 43.60865792 3395.27775923 12565.92336074 20047.31194796 At 35.26233359 42.81391888 42.12764926 -185776.85767364 -176438.68873144 -283189.08833566 At 35.88138035 43.40205852 43.07148216 185741.15232234 176471.55074559 283192.46596663 At 39.45745741 39.95008062 39.81544141 14600.91911657 -23547.73202567 12097.27072507 At 41.93520233 41.83160741 41.64080677 220.90548849 -57.00787297 -228.71389684 At 42.48601857 43.04408575 39.75343719 -481.26292221 -27.78059960 -305.74089576 At 44.03884298 43.03813164 41.01672697 789.10839434 35.43241679 624.74628409 At 42.97655215 39.95883772 43.17793479 -92023.32630625 -234131.60545894 -184781.77127135 At 43.35898117 40.92865933 43.94201399 92437.27366853 234416.08575962 184685.99630128 At 40.50254317 41.67832217 43.19727982 3193.36519956 470.90319314 -501.94215542 At 41.95136760 43.69532369 43.51671071 22.65450341 38.81063194 13.34575114