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=-44.98052213695561 stress="-8.81270434127627e-05 -5.072825361883654e-05 -4.943590309510803e-05 -5.072825361883654e-05 -0.00011050685003112508 -1.3440400787008377e-05 -4.943590309510803e-05 -1.3440400787008377e-05 -0.00010230682576018948" free_energy=-44.98052213695561 pbc="F F F" Li 34.75900849 35.18525799 34.98359487 -0.07973771 1.54838110 0.23254955 Li 37.06119496 35.93572417 35.98055861 0.04361138 -2.64624477 -0.50296008 Li 37.14715992 37.22516294 35.23402360 -0.64212837 2.64714994 -0.90410420 Li 38.38021302 38.78131475 35.96390753 -0.98014700 0.46689583 -1.56386613 Li 37.29465675 34.93158033 37.83765651 -1.09888204 -1.28915087 1.67920801 Li 38.85840215 35.76443239 38.32368882 1.74261838 1.36981048 0.14615144 Li 34.87364502 37.47843907 38.02587658 -0.10131746 0.04200055 -0.21165205 Li 36.55604684 39.07636534 38.99475015 -1.06218896 2.71634034 -0.44880088 Li 40.44932342 35.66011268 35.25633555 -1.17497483 -0.29067874 -0.76283344 Li 41.90900243 36.16113453 36.62713613 -0.16134588 0.64683875 -0.05357025 Li 42.56413860 37.42957765 34.86420263 -0.92446321 -0.38842127 -1.43452564 Li 43.67982227 38.56376137 35.86736005 0.96771721 0.58293059 0.46626949 Li 42.81964364 35.29825864 38.31884324 -1.61247941 -3.03916664 0.44761288 Li 43.94092265 36.52024635 38.78884248 3.44142067 1.68235373 -0.22103892 Li 39.63485376 37.93882834 37.05281406 0.89142417 -0.63553264 0.68806401 Li 40.73509376 38.94876753 38.77269330 0.37448344 -0.13474204 0.22891804 Li 34.75331176 39.95945902 35.10549878 -0.71606339 -2.11432641 -0.69947471 Li 36.14575737 40.85200914 36.24085714 0.96203675 0.32905843 1.22117269 Li 37.00320811 42.52050518 34.69446895 0.00480356 0.03000292 -0.42237425 Li 38.61643991 43.32327578 36.40123177 -3.43150622 1.13088239 -2.04523195 Li 37.95366604 39.83987416 37.71888199 -0.93694888 -0.21516790 -0.31868534 Li 39.18297782 40.79320854 37.89541753 1.75789131 0.21379707 0.91871923 Li 35.30609528 42.83814538 37.63905551 -0.88152146 -0.90542119 -1.44578953 Li 35.90975672 43.66349090 39.11824152 0.97567156 1.67090125 1.71940688 Li 39.91545718 40.06219597 35.14031394 0.35699528 0.53178151 -0.41281876 Li 41.60365422 41.12475624 36.46651109 -0.83558675 -0.26248345 0.00470042 Li 42.13700750 42.71860490 35.10350000 -0.15370346 0.64937803 -0.78934858 Li 43.88885915 43.95496023 36.36724050 0.03414544 -0.16098474 0.44833582 Li 42.84271554 40.09122498 37.35935114 -0.17745674 -1.45090852 0.77953656 Li 43.97769358 41.07538145 38.54532507 1.08127491 0.52881590 1.02181380 Li 39.66448343 42.68403127 37.11226018 2.85134827 -1.42989743 1.20599132 Li 40.97555741 43.31914392 38.65498011 -0.78797428 2.13221547 0.29960224 Li 35.05615299 35.04331559 39.53882749 -0.40144305 -0.52645596 -0.62258440 Li 36.15066415 36.09305905 41.24471027 -0.81759806 1.00160114 -0.83961016 Li 37.00297454 37.99791377 39.62151619 1.47185124 -3.81045324 0.23332664 Li 38.55150311 38.51894432 41.34725891 -1.28612950 -2.08149652 1.10412052 Li 37.11411550 34.96989052 42.36669775 0.80887100 -0.82790720 1.03170204 Li 39.08450338 35.75571598 43.58475277 -0.95015936 -1.49379110 1.15844380 Li 34.99655912 37.96978731 42.51668654 -0.97901848 -1.41708039 -1.85836969 Li 35.91812812 38.91950201 43.54655608 0.17173990 0.72673208 2.20381950 Li 39.40731045 35.00137669 40.41040162 -0.25120202 -0.42812939 0.39890423 Li 41.48837336 36.00831489 41.43404765 -1.76570483 3.78235698 -1.54357869 Li 42.84911873 37.25854751 40.06411649 -2.41582754 0.36953032 0.07305765 Li 43.60556472 38.49425818 41.03735392 1.13778848 1.07751912 0.85685340 Li 42.20384740 34.85081933 42.03810700 1.77340986 -3.95796654 0.78119260 Li 43.33835299 35.83675700 44.08108255 -0.25432903 0.49486992 0.01138848 Li 40.09980901 37.00409575 42.77385137 0.26829985 0.86193505 -1.35683446 Li 40.94042883 38.73073442 43.33882071 -0.58170693 0.81849121 1.46015933 Li 34.83286624 40.11066877 39.61367676 -1.74695820 -0.42921559 -0.37457878 Li 35.88698845 41.61356488 40.46481227 0.73561161 -0.25327157 0.96187991 Li 37.91237399 42.21827495 39.80335328 0.10654164 -2.54542647 -2.31405248 Li 38.44561777 43.28337470 40.87827378 0.13634717 2.00678018 1.72379132 Li 37.36102597 39.94186987 42.87644269 0.99143738 1.29654690 -1.08661269 Li 39.23985324 41.17875363 43.78505241 0.27885027 -0.08774234 0.76025555 Li 34.62935593 42.80060377 42.34410193 -0.37866946 0.04009741 -0.06921983 Li 36.64289762 43.50970347 43.62098262 1.81323547 0.02311016 -0.02896605 Li 39.65397793 39.67656209 40.82738788 0.23131930 0.22809045 -1.26133533 Li 40.89974943 41.22892384 41.12165250 1.52972702 -0.98721973 -3.71958370 Li 42.34497277 42.80178516 39.71375535 1.52098455 -0.64375463 0.64301166 Li 43.49040319 43.56000047 42.02508145 0.04809139 -0.28733039 0.06384469 Li 42.17363958 39.97402854 42.44121704 1.20917659 0.33533275 -0.31506130 Li 43.58068540 41.37060237 44.08965562 -0.17617617 0.25318851 0.16544061 Li 40.38405795 42.11536967 42.13716159 -0.52972554 2.53819155 2.31729014 Li 41.39189553 43.80609007 43.81395224 -1.42565083 -0.03354031 0.17092783