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=-102.74027636687339 stress="-2.139445144002112e-05 -3.734121381931997e-05 -9.345750806266297e-05 -3.734121381931997e-05 2.634411215301197e-06 -1.2854741064557771e-05 -9.345750806266297e-05 -1.2854741064557771e-05 2.046368007511908e-05" free_energy=-102.74027636687339 pbc="F F F" Al 35.22086729 34.98310996 34.77096654 -0.45859908 -0.10300986 -0.44175831 Al 36.59933616 35.93572417 35.98055861 -0.72592952 -0.78523135 1.14411024 Al 37.14715992 37.22516294 35.23402360 -1.09551184 1.53248830 -0.96566105 Al 37.93229823 38.78131475 35.96390753 1.12054409 1.32950752 -0.30618093 Al 37.29465675 35.15851503 37.83765651 -1.80638457 -0.52405641 0.67746294 Al 38.46555648 35.76443239 38.74197382 1.15466762 1.48686187 0.86884753 Al 34.64671032 37.87128473 37.80973961 1.57207539 -0.40051477 -0.83758686 Al 36.92238897 39.07636534 38.99475015 -0.44789390 2.09328471 -0.68540619 Al 40.94895099 35.29377055 35.06577139 0.12954976 0.09882056 -1.05808666 Al 41.52428805 36.23678549 36.50500385 0.16056915 0.89944729 2.10833100 Al 42.56413860 37.55170993 34.86420263 -0.84645204 -0.42017017 -1.47107474 Al 43.89584226 38.35419235 35.86736005 0.31246049 -0.07604170 0.89898828 Al 42.81964364 35.29825864 38.24768796 -1.71303643 -0.23900247 0.27318845 Al 43.94092265 35.91364046 38.80687150 1.85971067 0.34253715 0.48948571 Al 39.63485376 38.17296247 37.44339995 -1.67473080 -0.50265734 -0.49681225 Al 40.92663375 38.42385481 38.54045441 2.25679090 -0.27739473 -0.42994965 Al 35.03813861 39.95945902 35.10549878 -0.09431282 -1.53565789 -0.40748730 Al 36.09594277 40.38445293 36.24085714 -0.47027019 -0.67111666 2.44194175 Al 36.76471175 41.99470218 35.13172459 0.06291482 0.93694707 -0.03834321 Al 38.61643991 43.32327578 36.40123177 -1.99394759 -0.17982449 -1.50754680 Al 37.70096765 40.23977800 38.07241084 -0.93710066 2.08219083 -1.40512116 Al 39.18297782 40.79320854 38.39174556 3.51598794 0.98989857 -2.13142996 Al 35.30609528 42.83814538 37.63905551 0.82351777 -1.42966669 -1.43807961 Al 35.82590155 43.66349090 39.11824152 0.10333166 1.16672908 1.37817895 Al 40.38619242 40.79641666 34.96489928 -1.75233293 0.37329546 0.18751599 Al 41.60365422 41.12475624 36.45055866 -0.04844732 -0.43855649 1.54655336 Al 42.13700750 42.73275660 35.10350000 -0.77765785 0.52209990 -0.86994806 Al 43.93378786 43.46171569 36.36724050 -0.16179796 -1.38889605 1.14373056 Al 42.98292289 40.09122498 37.35935114 0.11153663 -1.34209091 0.05522939 Al 43.97769358 41.09133389 38.54532507 0.52746584 1.11952441 0.89038476 Al 39.66448343 42.68403127 37.14894840 1.19878572 -0.17665910 0.30832463 Al 40.97555741 43.01304972 38.89352680 -1.74317995 0.10671858 0.18772806 Al 35.05615299 35.04331559 39.53882749 -0.23302251 0.41904026 -1.45020629 Al 36.18959060 36.09305905 40.84266193 0.38180554 1.35213333 -0.88121408 Al 37.00297454 37.99791377 39.49708688 -0.91152491 -3.87391770 -0.01763864 Al 38.52760771 38.51894432 41.34725891 -0.16101487 -0.60519016 2.42503755 Al 37.07742728 35.04282669 41.90088991 1.45400748 -0.70279623 0.88698695 Al 39.08450338 35.75571598 43.58475277 -0.87809425 -1.40027916 -0.97493483 Al 35.31779229 37.96978731 42.51668654 -0.33621596 -1.09941491 -2.61599206 Al 35.90293785 38.91950201 43.54655608 -0.20502983 -0.28018476 2.20363714 Al 39.53173977 35.09024676 40.41040162 -0.89567762 -0.06123905 1.74170545 Al 41.29564792 36.00831489 41.43404765 0.39953974 1.30207747 -1.57647631 Al 42.84911873 37.64372565 40.08801189 -1.43113795 -1.01209604 -1.56702235 Al 43.60556472 38.49425818 41.03735392 0.83046231 1.55654520 0.98032882 Al 42.20384740 34.85081933 42.03810700 0.95856467 -0.92660011 0.84975585 Al 43.64763455 35.83369070 44.00814638 -0.44080645 -0.11669963 -0.47948709 Al 40.12119693 37.00409575 43.10837372 0.34244017 0.71047836 -0.30638108 Al 40.65472943 38.73073442 44.04997535 0.19055313 1.56802965 -0.46463797 Al 34.83286624 39.78943560 39.93496123 -0.61829620 -1.24740340 1.06954865 Al 35.88698845 41.76260394 40.79037489 0.65557462 -1.79744349 -0.47829134 Al 37.82350393 42.21827495 39.80335328 -0.26892548 0.15186293 -0.75886549 Al 39.09767622 43.28337470 40.87827378 0.12833624 0.51367830 0.77763643 Al 36.88305452 39.94186987 42.87644269 0.74278177 2.29745047 -1.48847634 Al 39.23985324 40.79357549 43.42846539 -0.30646155 -1.26951947 -0.60573251 Al 34.96909146 42.80367007 41.97645773 -0.38167507 0.87552515 0.35729179 Al 36.64289762 43.79540286 43.37563583 0.55884403 -0.28264181 -0.85763612 Al 39.50493887 39.74812168 39.92163760 -0.55539812 -0.65514835 1.86212847 Al 40.89974943 41.22892384 41.12165250 -2.39807026 -2.00472447 -2.07776980 Al 42.34497277 42.80178516 39.71375535 2.74787257 0.08673474 1.02048287 Al 43.96837464 43.91658749 41.68534593 -1.29014123 -0.93582847 1.51005683 Al 42.51989586 40.42112956 42.44053329 0.72315155 -1.03518429 0.98668806 Al 43.82327501 41.37060237 44.08965562 -0.51076198 1.75966886 -0.85307326 Al 40.82343071 42.11536967 42.13716159 1.94663651 3.08383013 1.79871220 Al 41.28385059 44.06242240 43.78359587 1.59936091 -0.96054756 -1.12569035