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=321.25042480393324 stress="-0.0013254409115559232 -8.995510663548893e-05 -0.00010633469843384086 -8.995510663548893e-05 -0.001284686963961386 -5.638427017553001e-05 -0.00010633469843384086 -5.638427017553001e-05 -0.0013210149696167661" free_energy=321.25042480393324 pbc="F F F" K 34.75900849 35.18525799 35.18408192 -4.27648686 -2.07963542 -2.10827912 K 36.59933616 35.93572417 35.78007156 -2.53267069 -2.74030916 -2.29221575 K 37.60901872 37.22516294 35.23402360 -0.30032937 -1.03673404 -7.66983255 K 38.17806499 38.36819937 35.96390753 1.47233513 3.95472460 -1.75737230 K 37.29465675 34.93158033 37.38974172 -1.62604820 -6.30067303 0.61942381 K 38.85840215 35.76443239 38.05624271 2.57170479 -2.17720165 0.43482377 K 34.64671032 37.87128473 37.80973961 -5.08932378 -1.14679463 -1.60801888 K 36.55604684 39.07636534 38.99475015 -3.49567683 2.94768351 -2.99262131 K 40.44932342 35.29377055 34.75670798 -1.02213975 -3.58218732 -3.44812984 K 41.82687371 36.23678549 36.50500385 0.90655225 -3.25177716 -0.13912227 K 42.17129293 37.42957765 34.86420263 0.98875931 -0.18430183 -6.12391761 K 43.67982227 38.56376137 35.86736005 5.82674703 0.27076136 -1.58825554 K 43.03578061 35.29825864 37.98568119 1.21930735 -5.59367187 -1.62934791 K 43.94092265 36.30422636 39.36475362 7.15324378 -2.82427895 -3.23192405 K 40.13448134 37.67682157 37.44339995 -0.07336798 -1.55381484 -1.23313881 K 40.92663375 38.76169005 38.77269330 3.04387514 -0.87204765 2.12248696 K 34.75331176 39.95945902 35.10549878 -3.94916976 -0.91218724 -3.62692950 K 36.14575737 40.80513000 36.36298941 -2.07038359 0.97421397 -1.74122598 K 37.56860905 42.23567833 34.69446895 -0.72267333 0.96959983 -5.37129865 K 38.61643991 43.32327578 36.40123177 -2.61120490 6.61885160 -4.15141135 K 37.95366604 40.10570875 37.71888199 -3.08054035 -1.25808528 -3.32046697 K 39.18297782 40.79320854 38.18217655 3.59834882 1.07988360 0.41746384 K 35.30609528 42.83814538 37.63905551 -4.54886196 1.48812569 -3.63246042 K 35.90975672 43.66349090 39.11824152 -1.52424643 6.10427967 1.73390279 K 40.64819920 39.91258622 34.70305829 -1.03134561 0.05441676 -5.66171567 K 41.41211423 41.12475624 36.46651109 -0.25161760 2.21999670 -3.22880231 K 42.63314840 42.97130329 35.10350000 -1.03187595 1.48939984 -5.04188774 K 43.97271432 43.46171569 36.33846867 4.35052187 2.75268562 1.37815499 K 42.58087455 40.09122498 37.35935114 3.11573232 -1.78548149 0.34000673 K 43.97769358 40.85909500 38.54532507 6.04721701 0.73302778 1.98182184 K 39.66448343 42.68403127 37.39708703 2.00264906 3.37912862 -0.73327336 K 40.97555741 43.31914392 38.89352680 -0.44515838 6.46961470 -0.79585338 K 35.05615299 35.04331559 39.53882749 -4.27729850 -3.85810751 -1.43625430 K 36.18959060 36.09305905 40.84266193 -1.61267981 -1.41572261 1.17995621 K 37.00297454 37.99791377 39.62151619 1.24459010 -6.25608299 1.62912721 K 38.50168851 38.51894432 41.34725891 -0.39459458 -3.39066884 2.06749118 K 37.07742728 34.96989052 42.36669775 -1.34070108 -4.33880705 3.33700124 K 39.08450338 35.75571598 43.58475277 -1.73099638 -3.91485304 5.76780716 K 34.99655912 37.96978731 42.02035851 -5.43145645 -1.09960160 1.71749045 K 36.22422232 38.91950201 43.54655608 -3.03102278 -0.80995595 5.93890078 K 39.06100453 35.00137669 40.16942547 0.78844005 -4.27202826 0.53216904 K 41.32032583 36.00831489 41.43404765 -1.82033300 0.35311771 -2.29896099 K 43.28637438 37.00584912 40.43810114 0.04581271 -0.12603388 2.32180593 K 43.60556472 38.49425818 41.03735392 4.14396993 4.70870305 2.29484092 K 42.20384740 34.85081933 42.03810700 3.22026706 -7.68435030 2.54776477 K 43.64763455 36.19028586 44.00814638 2.04191438 -0.06216755 2.83398635 K 40.01595384 37.00409575 42.77385137 0.95642710 1.83438372 2.20143276 K 40.94042883 39.22397896 43.80462855 1.80830817 -2.02430969 5.04432900 K 34.83286624 40.05127659 39.91900879 -7.59319938 -0.03856225 -0.35518711 K 35.88698845 41.37501819 40.86193449 -1.70710121 1.48034750 2.70569285 K 37.82350393 42.21827495 39.80335328 -1.50518075 0.88796116 -0.92985988 K 38.59941675 43.28337470 40.87827378 0.42250230 7.16966968 3.18187204 K 37.76307431 39.94186987 42.87644269 -1.95181643 1.73990530 2.58601384 K 39.27654146 40.79357549 43.78505241 -0.57252817 2.43492396 6.58259840 K 34.62935593 42.80367007 42.32271401 -4.50508074 0.92885355 1.36100088 K 36.33680342 43.79540286 43.37563583 1.11602873 2.58738034 2.90937121 K 39.50493887 39.62369236 40.34415946 1.74749892 -0.20428117 -0.01352195 K 40.89974943 41.22892384 41.12165250 3.14073308 -2.02025455 -3.24936297 K 42.34497277 42.80178516 39.71375535 5.27637341 1.76050776 1.16958620 K 43.96837464 43.91658749 41.37606437 2.54197052 2.19386493 0.97269482 K 42.51989586 40.42044581 42.44053329 4.13981787 -0.68579502 1.05930221 K 43.82327501 41.44353855 44.08965562 2.80142820 0.98671834 2.93169385 K 40.39757659 42.11536967 42.13716159 -0.88774816 5.82782513 5.05159136 K 40.81804275 44.06242240 43.78359587 0.31178231 3.10020781 2.45704309