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=-207.31581713848624 stress="0.0008744821458293557 7.643001927659102e-05 7.388814524003195e-05 7.643001927659102e-05 0.0010263361654113076 7.879910870045527e-05 7.388814524003195e-05 7.879910870045527e-05 0.001096178097169021" pbc="F F F" N 35.35619773 34.68804980 35.25573828 1.00221758 3.10456942 2.20998743 N 35.87023567 36.42702864 36.47432271 -5.40156876 3.06514383 8.28137419 N 37.21522234 38.18126283 34.64820765 0.29887079 0.53112237 1.91968532 N 38.78122420 38.63988231 36.67890936 3.68469933 -3.94509510 4.92452009 N 38.38180528 34.76165520 37.38725827 0.49559271 2.87726096 1.62232421 N 38.58554255 36.47233654 38.91239606 -4.30542061 14.01683798 4.96555248 N 35.12864538 37.18150799 37.90019625 11.52049961 5.71308145 -1.79452279 N 35.77436736 38.45608535 38.84862183 -2.74837353 -10.72480824 -7.76720298 N 39.86382644 35.20516241 34.50127383 0.97119678 1.11558453 1.96474507 N 41.08097132 36.28523563 36.23241308 -2.28803842 1.62541990 3.09842283 N 43.03260142 37.81961448 35.44175937 4.05777506 6.59293523 5.34243209 N 43.99702379 39.16374196 36.28917878 -6.35877171 -6.65085828 -3.70943406 N 42.64965446 34.92675224 37.28676667 3.07152777 9.97196807 7.93410479 N 43.31606553 36.03067576 38.48955606 -5.84170312 -7.07071294 -7.98727827 N 39.84939930 37.39741215 37.41761606 -5.78973409 4.34302774 -4.23547173 N 40.75763437 39.13067327 39.01588124 -6.78847412 9.86721356 8.40677745 N 35.22770481 40.27362324 35.09143868 3.80220323 2.23982093 2.58711423 N 36.61428790 41.52059705 36.09647978 -0.44413585 -4.32839073 0.04693975 N 37.53909907 43.32167329 34.80655216 2.09835155 -1.18807571 5.24572376 N 38.75177030 43.56547078 36.50174903 0.30270529 -6.91361872 -0.71374404 N 37.17392304 39.83735690 37.25157400 2.60582269 0.22531699 -3.06670456 N 38.93850748 41.53147497 38.46715403 9.45759797 4.32766644 -13.78796865 N 35.14209511 43.09518336 37.87296448 2.49091999 0.09461993 0.74191417 N 37.08314708 44.00131715 38.96648431 -0.97109870 -12.00722010 7.56519775 N 39.56509201 40.25957812 35.16657249 1.12393617 -0.55798547 4.80130123 N 41.22687838 40.56751714 36.63422372 3.61082830 -0.34009604 11.39088770 N 42.68782010 42.53727208 34.81416533 0.11417321 0.08264118 1.63505656 N 43.48714282 43.43166337 37.04540918 -1.10000681 -0.94459864 -0.45563862 N 42.28420565 40.26761281 37.94658453 -10.88345999 1.18546536 -8.78187759 N 43.92676521 41.12887654 39.62919372 -10.90565245 8.86774440 5.06604752 N 39.77572842 42.00827424 37.18286213 -9.66017311 -3.97373875 10.93664923 N 41.49381628 43.25251885 39.03321763 3.17371389 -3.63487059 2.54559470 N 34.95558551 35.12399809 40.93010007 13.59964387 9.45904336 0.16577641 N 36.33726613 36.07904480 40.94649521 -10.26936210 -9.00158094 0.60181937 N 37.92359324 37.74834240 39.62745815 11.82193362 -7.00255458 6.14181288 N 38.47432961 38.39848394 41.01803133 -3.53697282 -6.93161280 -14.13297553 N 37.92865138 35.10873172 42.25284135 -0.64137777 2.93311006 -0.88446588 N 39.17080527 36.23701794 44.11573571 1.77201891 5.67982470 -10.43490798 N 34.56819674 38.03960906 42.93761110 1.85874587 0.76318449 -0.11355176 N 36.77537336 38.93644231 43.61174725 1.11328043 9.83510192 -8.78185729 N 40.32540517 35.20094466 39.97261554 6.40872187 5.20875824 6.88107294 N 41.55053239 35.75677487 41.18332157 -5.41027991 -2.88543331 -5.52351273 N 42.86663832 37.79560899 40.25327600 4.32481884 9.24975812 10.07754105 N 43.46147666 38.91383922 41.36929247 -13.26529411 -2.72196063 0.54876003 N 42.46915099 35.36433389 42.20734079 -1.39024378 3.20892327 -1.60152210 N 43.54737549 37.02683135 43.41055930 -1.71774149 -0.82635646 -2.32743005 N 39.55158696 37.20941971 42.61906096 -3.29056130 -4.40320040 6.88068470 N 40.66373888 38.91683433 44.17363495 -0.26279700 -0.15586808 -1.87050821 N 35.06327208 40.18678446 40.77309620 3.67551157 1.14244957 1.32536721 N 36.97231988 41.25520896 41.38372761 -1.12362509 -4.61467742 6.68542277 N 37.08493680 42.65190978 40.07360338 0.51793347 4.07763588 -3.06853550 N 39.14738112 43.40129749 41.53881486 0.79897422 -2.98349518 1.54711177 N 37.05002909 40.34064669 42.57244961 -2.40471285 -0.29003185 -5.63052337 N 39.22724246 41.25620422 43.62713819 12.23936276 9.32856747 -9.35184379 N 34.89345302 42.38209679 42.51823718 1.75060011 -1.20403059 -0.88927700 N 37.14562153 43.73008746 44.10926118 0.15061913 -0.58057030 -0.60013866 N 39.94523807 39.90716052 40.02202181 10.90039625 -5.40931641 -7.92536666 N 41.25989165 41.02892065 41.02389809 -1.14885532 -1.55176314 -2.74900069 N 42.84641594 42.30431767 40.29322242 3.18637708 -8.77262414 -6.54519499 N 43.81502735 44.21124038 41.40345894 -1.02849947 -1.81361457 -1.00793946 N 42.64474667 39.76301951 42.60950323 7.26548736 -5.60986217 -9.93872854 N 43.98289951 40.89769540 43.99156069 -2.18894110 -1.78219472 -2.33982607 N 40.35770661 42.11734446 42.92131212 -13.42186229 -8.25418702 4.99878917 N 41.08100458 44.18649478 44.05054009 -0.67931958 -1.65879334 -1.06956131