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=-114.95492750707626 stress="0.0006823617367658467 0.00021202609852407345 0.00019953665320811335 0.00021202609852407345 0.0006963148844492486 3.676471170698273e-05 0.00019953665320811335 3.676471170698273e-05 0.0005562930377937176" free_energy=-114.95492750707626 pbc="F F F" C 34.75900849 34.98477095 35.64594072 3.79877244 2.14424337 0.51148182 C 36.59933616 35.93572417 35.98055861 5.39550546 13.17046736 -7.07949985 C 37.14715992 37.22516294 35.23402360 -5.08710499 -14.11784583 12.14688411 C 38.17806499 38.78131475 35.96390753 -1.99071955 -2.41424229 2.86408722 C 37.29465675 34.93158033 37.42454113 3.77681733 5.85666705 -1.77643275 C 38.85840215 35.76443239 38.07792206 -3.62598879 1.01301225 -3.38411681 C 34.87364502 37.47843907 38.02587658 -0.16904008 -0.02472380 -0.21316017 C 36.92238897 39.57599292 39.30381357 0.24652887 -24.49929116 1.48048316 C 40.37367246 35.41590283 34.75670798 -0.09941286 -0.08309077 -0.05973578 C 41.59993901 36.56994755 36.72102384 1.66134147 -0.32785934 0.23477417 C 42.56413860 37.42957765 34.86420263 2.68106824 2.83888334 5.78597509 C 43.67982227 38.56376137 35.86736005 -4.11777178 -3.23040054 -2.90245351 C 42.61007463 35.29825864 38.24768796 11.87715081 7.72602173 3.09815983 C 43.94092265 35.91364046 38.80687150 -15.39699402 -3.50457383 -3.10080696 C 39.63485376 37.67682157 37.44339995 2.66795608 -1.57117605 4.17110424 C 40.92663375 38.45262663 38.77269330 -6.30788523 -0.51731781 -0.89979756 C 34.75331176 39.95945902 35.10549878 4.32154320 2.85046627 3.52896119 C 36.14575737 40.88078096 36.24085714 -3.88830465 -2.39405102 -3.90702346 C 37.73158789 42.20690651 34.97929580 2.14624652 2.88296057 4.63044438 C 38.61643991 43.32327578 36.40123177 2.60036292 -6.35289239 -0.65777172 C 37.95366604 39.88968876 37.71888199 12.00824010 7.96259548 8.64480036 C 39.18297782 40.79320854 38.39174556 -14.45887447 -9.32622635 -8.47930487 C 35.30609528 42.83814538 37.63905551 2.34852582 3.23880662 5.80488558 C 35.90975672 43.66349090 39.11824152 -2.19987504 -3.32354064 -5.80578455 C 40.33637782 39.80684409 35.14031394 1.52103361 1.67001711 1.66008553 C 41.60365422 41.12475624 36.46651109 10.07469080 -10.29751173 5.67954956 C 42.13700750 42.71860490 35.10350000 -0.92759389 -3.06692566 2.47555628 C 43.97271432 43.81180493 36.72076935 0.10500301 0.08455051 0.07523245 C 42.58087455 40.09122498 37.35935114 -6.60487926 13.60513075 -7.54431554 C 43.97769358 41.09133389 38.54532507 -3.55898567 -2.66335236 -3.11727077 C 39.66448343 42.68403127 37.11226018 -4.66033762 2.35104023 -1.58799596 C 40.97555741 43.31914392 38.89352680 15.96199773 -6.47839284 8.83318620 C 35.05615299 35.04331559 39.53882749 0.79774875 0.73277546 1.49976887 C 36.10573544 36.09305905 41.33590647 2.67842612 -4.92983207 2.72302141 C 37.00297454 37.99791377 39.62151619 -0.17237975 24.75116622 -4.13893894 C 38.55150311 38.51894432 41.34725891 3.34805710 3.33237708 -3.69851615 C 37.07742728 34.96989052 42.36669775 -3.44057925 4.35030326 -3.75555876 C 39.08450338 35.75571598 43.58475277 3.80789060 3.55604012 -2.39710826 C 34.99655912 37.96978731 42.51668654 4.26412406 2.97270415 3.03426778 C 36.22422232 38.91950201 43.54655608 9.12545753 8.38636747 -10.21066186 C 39.79358076 35.00137669 40.41040162 2.51315111 1.48776311 1.48610681 C 41.48837336 36.00831489 41.43404765 0.75691914 -5.11504812 5.23398238 C 42.84911873 37.25854751 40.08801189 5.27571544 3.97709639 5.00231773 C 43.60556472 38.49425818 41.03735392 -4.46212697 -7.63746131 -5.89590764 C 42.20384740 34.85081933 42.03810700 -4.65289049 7.90701786 -3.93541460 C 43.63168211 35.59821031 43.96921992 -0.05771752 -0.02762758 -0.08198004 C 40.50185735 37.00409575 42.77385137 -0.02922735 -2.11653352 1.09157320 C 40.97711705 38.73073442 43.80462855 -0.82246975 -2.33072469 -3.84368241 C 34.83286624 39.48334140 39.81053191 3.66123239 1.39383535 -0.36031918 C 35.86309305 41.30428332 40.93487066 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43.80609007 43.81395224 -0.04815708 -0.00968293 -0.00024056