108 Lattice="8.518515886616061 0.0 0.0 0.0 8.518515886616061 0.0 0.0 0.0 8.518515886616061" Properties=species:S:1:pos:R:3:forces:R:3 energy=33995.38587771746 stress="-138391.07360299822 174.09400725408432 -938.9857802438519 174.09400725408432 -137440.8812061361 -648.675869796818 -938.9857802438519 -648.675869796818 -138410.88560411317" pbc="F F F" Kr -0.02361271 -0.04501939 0.04214600 -464.38655288 -437.36113761 -529.28850377 Kr 1.46267964 1.45526204 0.03751673 -279.39638311 -472.31218786 -1600.79233597 Kr 1.47513878 -0.01778102 1.39838937 -514.07935020 -1323.69778883 400.50838097 Kr 0.03934782 1.41181058 1.45207494 -1208.70917094 -314.48738096 -98.37779600 Kr 2.81003031 -0.03569118 0.01594203 304.40216740 -852.00022069 -1175.20340405 Kr 4.24661003 1.45013533 -0.00654837 -273.65566828 -457.29772596 -1379.88398658 Kr 4.20944785 0.00153739 1.44861949 425.57362823 -1160.19054838 -323.97767945 Kr 2.79534819 1.38909289 1.42977126 699.96869873 303.19849908 49.91399387 Kr 5.72801193 0.02164813 -0.04159741 -296.85574187 -949.50506669 -683.82320995 Kr 7.11572868 1.37714707 0.05073439 972.43141267 361.74220803 -830.32109020 Kr 7.14091173 -0.03423420 1.45469062 640.83437291 -875.19611076 -27.97205522 Kr 5.62364983 1.44599052 1.39020783 627.82000660 -639.24384031 221.76005065 Kr 0.05448868 2.81223059 0.03306691 -1119.39302638 100.52346447 -1073.39498450 Kr 1.46709452 4.23928526 -0.05360876 -322.86106867 318.90621719 -995.48655325 Kr 1.46278949 2.83171013 1.40653531 -440.84361959 220.94468213 364.07147463 Kr -0.02850478 4.19006457 1.46022431 -1129.53556933 310.24165478 -193.99697041 Kr 2.82285019 2.87988713 0.04833237 392.70358915 -203.91544037 -1428.54095502 Kr 4.29601707 4.20390104 -0.00761010 -389.46971767 721.20042011 -1087.64956616 Kr 4.26982619 2.80820662 1.38513170 -533.85482119 376.82577881 631.87826497 Kr 2.82797139 4.25137812 1.49993353 280.75496229 397.34185061 -557.32895918 Kr 5.63711474 2.85383170 0.04974818 880.97207005 -233.43645818 -1635.94778204 Kr 7.06968746 4.30881743 0.01499599 1095.94824535 -285.99948262 -1051.65829349 Kr 7.13866328 2.87943400 1.44146281 1116.87392395 -183.76916890 -132.14537944 Kr 5.71697212 4.22744190 1.44120758 -339.20505324 333.36556429 463.18073819 Kr 0.03843658 5.70364323 0.05485364 -1137.69581742 -519.27016562 -1160.46931903 Kr 1.38673360 7.13037122 -0.03044913 208.36385453 1025.70032262 -1257.52312074 Kr 1.44747193 5.68368704 1.37491882 -689.56704144 -691.41122698 468.07308115 Kr 0.02924851 7.13732410 1.33492698 -1075.36531169 1031.24314926 525.81685673 Kr 2.82832939 5.73322192 0.04293494 306.25499439 -630.74013943 -1779.59688255 Kr 4.28949844 7.09987588 0.03357169 -278.35804377 1076.09012422 -1157.51737921 Kr 4.25956041 5.70358927 1.40074937 18.46590388 -789.59140529 204.78694133 Kr 2.74350705 7.04384638 1.39223861 631.30124543 1938.16748294 295.46502589 Kr 5.71127427 5.69215904 0.03711801 -458.56135220 -234.48103206 -1498.65409543 Kr 7.09946662 7.07430077 -0.03627907 725.47381960 731.66844724 -656.21495008 Kr 7.06861064 5.71126837 1.42302466 1474.10885154 -211.91193619 287.98708276 Kr 5.66886062 7.09382721 1.37890236 347.49703375 1471.33510286 485.28418627 Kr 0.04663725 -0.05652026 2.89355399 -1053.08556018 -696.25287509 -456.25036941 Kr 1.45171772 1.45126554 2.85038778 -63.14860146 -337.92312751 435.70457500 Kr 1.37513149 -0.04810024 4.24088115 609.77345067 -944.63137157 348.81551151 Kr -0.04787361 1.41968464 4.31320626 -962.79265840 -255.34639841 -21.09770165 Kr 2.88134452 0.03767798 2.86667863 -533.36618296 -1297.17257409 -41.40455937 Kr 4.28474708 1.44336230 2.85945928 -411.50507368 -501.25093576 -250.37626963 Kr 4.23834629 -0.04520032 4.21565377 365.36189635 -1194.47480589 401.60165171 Kr 2.87570616 1.36805853 4.33177564 -344.94980575 386.99028436 -370.41058272 Kr 5.67018754 -0.00711156 2.85923727 64.78805085 -1036.81704096 -328.04869272 Kr 7.11788222 1.42416801 2.79846727 1026.13394205 -22.52500225 280.86696162 Kr 7.05188348 -0.04528082 4.26354917 1233.33733373 -850.99356240 -163.02829600 Kr 5.70282403 1.39937013 4.30511676 -11.68298827 229.74765220 -334.43736828 Kr -0.00163545 2.74397598 2.87926997 -1245.82373299 333.48693397 -95.48278887 Kr 1.35439981 4.21791401 2.82002686 221.38245252 386.72246366 439.13570114 Kr 1.41523546 2.87477345 4.31232292 384.83555576 -635.83419555 -697.69351759 Kr -0.04665049 4.20774337 4.25560407 -1192.22783622 594.18786578 -212.62656827 Kr 2.84487120 2.86186577 2.82856938 -103.54119010 -447.39448359 466.52712493 Kr 4.23952919 4.20862684 2.89074527 491.13229475 430.41043985 -567.27053849 Kr 4.30386533 2.78293913 4.21113380 -373.23484330 262.19643028 920.21856210 Kr 2.88144752 4.27463044 4.30126627 -448.56485296 -39.48131328 -430.84822711 Kr 5.64583212 2.77396905 2.85109269 840.16272050 571.79971004 -124.97379389 Kr 7.14931690 4.22945256 2.92579976 993.56464478 223.51719547 -322.92298631 Kr 7.14362992 2.86339079 4.31676329 1128.51839275 -704.79594729 -285.73308379 Kr 5.70175440 4.23178017 4.29904766 -429.52891195 55.93389025 -677.25374763 Kr -0.00145552 5.73118698 2.87643814 -1250.81639509 -416.92314317 -353.88589918 Kr 1.39639606 7.04922004 2.80803408 64.31075096 1535.63472293 347.14381868 Kr 1.42744735 5.71136352 4.31402255 90.79634388 -708.81391770 -584.90755561 Kr 0.02303350 7.06007506 4.30552452 -1244.51895537 1294.10972084 -229.90239593 Kr 2.80695021 5.68789637 2.87877091 35.77617442 -288.08435025 -156.96689305 Kr 4.23033626 7.06344641 2.74926435 133.52795755 1382.52649773 430.81323116 Kr 4.26329322 5.63664495 4.22532519 211.72616816 403.57846075 381.74036998 Kr 2.91563502 7.09386249 4.28010222 -309.39388334 1295.08132473 -217.64988863 Kr 5.72003091 5.68998282 2.87933988 -321.02545226 -266.05109860 -326.19512163 Kr 7.12865299 7.08088313 2.85967682 821.69072983 1101.99233964 -96.03145836 Kr 7.08471366 5.72916427 4.28447079 1517.25432652 -310.75111571 -36.54228862 Kr 5.66553801 7.08278418 4.29776577 -382.18223311 1387.37233930 -246.75889416 Kr 0.05362276 -0.02821345 5.71009030 -1165.61943648 -938.57131485 -141.46214956 Kr 1.45130965 1.40165965 5.68838296 -361.06199738 195.07920808 -340.50966048 Kr 1.40908491 0.02865896 7.07283603 222.79094186 -1041.00607454 1247.07035143 Kr -0.05254381 1.40053522 7.12237948 -791.49144429 193.72639209 674.02810627 Kr 2.91438051 -0.02138478 5.72974386 -738.80051164 -1495.97962149 -390.15510728 Kr 4.25769747 1.36956764 5.72263257 272.68518705 784.13325231 -549.42919013 Kr 4.25845262 0.04283385 7.05235933 281.52150590 -1287.87146058 1672.20127894 Kr 2.79246269 1.47418389 7.06112068 620.35107636 -274.05198976 1452.01467074 Kr 5.70081593 0.02038736 5.64502421 -338.10909132 -1586.44350203 500.81787362 Kr 7.04939580 1.38847976 5.72628411 1489.25096756 309.46034270 33.89594571 Kr 7.15303883 -0.05060307 7.07867443 403.69157777 -523.70525328 600.32163287 Kr 5.63583463 1.46554900 7.14543129 397.05661182 -301.05842958 1220.66441743 Kr 0.02023562 2.87996231 5.64357922 -1385.24232934 -451.03229878 756.73205920 Kr 1.42451442 4.21612423 5.64083389 -1.21258961 636.35119556 653.43675409 Kr 1.44523127 2.80047972 7.13453466 -571.14920270 491.11127139 1011.49121826 Kr -0.03995665 4.31092094 7.08625605 -811.69443189 -404.24293127 909.62872626 Kr 2.88822091 2.89446591 5.65193934 -242.48904287 -843.43979662 -75.28983641 Kr 4.24352897 4.24057883 5.70426362 662.51242481 606.80188288 -260.38867085 Kr 4.28488938 2.87203030 7.06258885 45.66178131 -239.84880297 1529.74488855 Kr 2.88495967 4.20523549 7.06538035 -529.41167389 543.81354416 1553.45095823 Kr 5.69021208 2.87531052 5.70231298 -305.29921700 -470.25924459 -67.19560201 Kr 7.04211782 4.24005963 5.64183200 1896.71125174 476.13626069 602.87025933 Kr 7.06705038 2.88723300 7.10215168 1070.44061147 -170.73041902 993.16195233 Kr 5.72918571 4.33714415 7.14575613 -450.40142335 -254.06517538 1187.10292331 Kr 0.02924846 5.69600837 5.71100758 -1602.36962831 -429.10041901 -316.24999217 Kr 1.39553356 7.04947687 5.65409970 396.43817362 1855.44555864 543.24293230 Kr 1.39017137 5.66190533 7.08711129 544.75936017 -160.72055315 1371.20036960 Kr -0.00935718 7.04284025 7.14200019 -645.77555417 790.74947350 677.91606623 Kr 2.84110340 5.70487335 5.70824874 170.54441723 -337.62814405 -51.43676199 Kr 4.22250061 7.15408030 5.72699900 615.82286758 961.88809644 -177.26571824 Kr 4.25293328 5.72410272 7.14526984 236.67226674 -201.17876371 1020.61843285 Kr 2.85716183 7.09636986 7.07780437 -481.69442666 1073.91670831 1197.37217458 Kr 5.70760430 5.64197470 5.66053756 -609.50739770 494.05039741 405.61946706 Kr 7.07054696 7.12017396 5.67137487 1032.93891011 975.74381414 174.83570847 Kr 7.06663754 5.72795343 7.15078632 1187.87038056 5.09369839 728.50725466 Kr 5.72137197 7.15061475 7.12730789 -267.03041433 844.98558029 744.60742016