64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=10616.805384571575 pbc="F F F" Rg 0.51338084 -0.28597921 -0.32659295 111 -1.82872382 -3.81085559 -5.94074221 Rg 1.18063262 0.90597195 1.47650330 111 -128.39312066 60.80253446 -106.59805623 Rg 2.82212467 3.08577341 -0.35134326 111 -57.55510338 -51.35507364 -63.12211366 Rg 3.93873304 4.08301589 0.93323855 111 -18179.52178741 -19862.14320001 21287.44632471 Rg 2.55391209 0.35787683 2.66967638 111 76.77056287 -84.67159559 70.45270084 Rg 3.96435340 1.23335520 3.78948105 111 -23.68266371 128.32170056 -9.83659767 Rg 0.39102963 3.29475482 2.66786842 111 -117.25123039 -96.50941193 -136.84272329 Rg 1.49375285 4.18288080 3.90998342 111 32.49947864 204.40616640 101.65017987 Rg 5.43970447 0.02116335 -0.17711108 111 1.08154440 3.95500019 3.69758517 Rg 5.99494411 1.33133976 2.15288302 111 453.20644909 -239.66707806 34.63467584 Rg 7.06217437 1.97208402 -0.23318899 111 -2.54038726 -0.56417355 5.16537196 Rg 8.77962268 4.17343454 1.41607061 111 59.76006032 -26.04482202 -28.78368511 Rg 7.86397696 0.42808825 2.43115652 111 -17.74847614 -55.63260364 -69.80441703 Rg 8.87080936 1.25385806 3.91971846 111 113.37588834 -58.83565514 34.12918178 Rg 4.44446558 2.15290705 2.02948732 111 -475.07131374 281.07855340 -85.90005629 Rg 6.48664911 3.32348736 3.87958417 111 -1395.18030064 509.03404092 -659.33732998 Rg 0.01686693 5.06041336 0.06434821 111 -217.50958742 -306.39541014 -264.04200396 Rg 0.86596753 6.24151743 1.09414782 111 220.81257924 307.79559963 268.18330234 Rg 2.17859908 8.28575226 0.14820185 111 -897.63406254 -984.13050713 -1265.15130432 Rg 2.96585924 9.14729420 1.26120096 111 896.20973244 978.63453050 1270.17119220 Rg 2.54259905 5.00040428 2.24749682 111 -2.25794999 22.27811166 -2.38361957 Rg 3.95620252 6.21939455 3.88943665 111 -2267.01273056 4857.08987282 -2757.01033492 Rg -0.37514998 7.75015201 2.67768950 111 -0.93326746 -4.62302543 -2.49825210 Rg 1.43771973 8.72628720 3.73491036 111 -1.73211992 7.83012633 -8.73844524 Rg 4.62633789 4.83279477 0.13338403 111 18258.58528343 19909.20996140 -21232.60711388 Rg 6.66124148 5.88319077 1.43538357 111 -5135.53929180 16199.80056365 -10822.62335140 Rg 7.63493440 8.21208886 -0.30621682 111 -12.34017039 -2.51894178 -32.84683700 Rg 8.28352158 8.25426977 1.69305823 111 7.51073552 -4.22577796 38.89615329 Rg 7.01022092 4.79896098 2.15532459 111 5160.18287451 -16221.77271573 10812.55849858 Rg 8.95554909 5.84581374 2.99623383 111 1.22715931 2.01311769 -0.01628820 Rg 5.01180867 6.72493615 2.09386323 111 -80.11692930 47.75211497 14.91508534 Rg 6.13117612 8.56297863 3.19740720 111 -3.95845327 1.44613320 -4.90707909 Rg 0.19513143 -0.23211596 5.07258386 111 2.30786588 3.28225699 0.35991180 Rg 1.00598606 2.00953497 6.15497119 111 285.86834241 -235.52676617 -282.35580220 Rg 2.58418121 2.74497083 4.54094120 111 35.29218955 -123.67767165 -34.95452828 Rg 3.52076458 2.98314636 6.25815168 111 39.29260033 18.55731545 82.09147641 Rg 2.54192408 0.01810975 7.96170327 111 -55.60771930 -20.97095533 -31.84262889 Rg 4.22060056 0.72529274 8.85155903 111 55.93212953 20.50469024 30.39047613 Rg -0.08364723 2.91228506 7.23748493 111 -280.82862685 236.83498888 281.69062947 Rg 1.19561045 4.45331468 9.07085644 111 1.90959254 1.14120497 -4.99748475 Rg 4.80870796 -0.10950387 4.83581676 111 81.40311084 -124.63523678 100.66218999 Rg 6.13857739 1.58138899 6.71785944 111 4758.34241261 -3714.34046280 -4187.42973214 Rg 7.88156228 2.80936492 4.54170575 111 1321.00537067 -412.82370052 697.75392611 Rg 9.18652992 4.10637053 5.94453252 111 -1.29840372 2.22809537 3.84475519 Rg 7.02550395 0.20749474 7.99078221 111 16.40431465 -27.70170550 28.52797471 Rg 8.81799896 1.81961206 7.89926070 111 -4.29207308 3.28268475 -1.99507286 Rg 5.19435515 2.32189546 7.53934278 111 -4776.39889458 3740.83464279 4150.07048233 Rg 6.66476798 3.21925943 8.88217327 111 9.14270855 -4.25229038 12.63010049 Rg -0.36814545 5.15738986 4.46625557 111 -13.16226840 8.77007908 4.07281139 Rg 1.79219809 6.42063583 6.34013526 111 -203.98447980 -294.29180168 274.63722407 Rg 2.57378855 7.54190316 5.20233807 111 -5662.62591935 -4495.10088845 -4628.79391736 Rg 3.54002431 8.32859340 5.91541654 111 5876.12148012 4780.79212570 4336.58465434 Rg 3.13548886 5.43471857 7.67559783 111 -5356.29816329 -8222.41764958 -9076.73335149 Rg 3.69396579 6.28789654 8.62042794 111 5339.01803350 8185.39301626 9117.93709454 Rg 0.01638050 7.06516222 7.38066211 111 -29.22777751 -50.12991997 -23.18525168 Rg 0.40682616 8.77357521 8.40539131 111 13.79594334 54.20781710 32.17619129 Rg 4.50742023 5.03027848 4.56816815 111 2254.24665443 -4867.92618616 2777.98836247 Rg 5.40517669 5.71327852 6.93098267 111 279.61652339 -1300.26363949 -416.78984051 Rg 7.57613381 7.17567802 4.27016636 111 0.12130048 -2.83596265 5.25165367 Rg 8.33936965 8.23633010 6.64724336 111 -2.41312387 -3.63194491 0.18683530 Rg 7.34322448 4.98640416 7.69505490 111 14.47876122 1.30515950 -4.75013036 Rg 8.63113965 6.65309561 8.73948329 111 -0.76247124 2.87562975 -1.51671946 Rg 5.05898274 7.24805626 7.41235179 111 -272.56960265 1307.44437319 354.82260657 Rg 5.86941378 8.43827101 8.97137419 111 11.75551131 14.52542158 20.75520296