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=-101.74238677406348 stress="0.0005501972805686938 0.00019272762714290408 0.00010695610373938173 0.00019272762714290408 0.0005275047590803036 7.66349445076151e-05 0.00010695610373938173 7.66349445076151e-05 0.00047260424040882143" free_energy=-101.74238677406348 pbc="F F F" C 34.75900849 34.98477095 35.64594072 3.53347996 2.01683123 0.47787075 C 36.59933616 35.93572417 35.98055861 5.39031553 12.08846641 -6.18919732 C 37.14715992 37.22516294 35.23402360 -4.79234454 -13.36277599 11.40665017 C 38.17806499 38.78131475 35.96390753 0.66519255 0.05589962 1.91410626 C 37.29465675 34.93158033 37.42454113 3.45734361 5.97682194 -2.10033312 C 38.85840215 35.76443239 38.07792206 -3.58648028 0.46418160 -2.98437177 C 34.87364502 37.47843907 38.02587658 -0.13352265 0.04307893 -0.12205268 C 36.92238897 39.07636534 39.49437773 -2.32732700 5.12251942 -0.74114316 C 40.75838683 35.21811959 34.87884026 0.06199686 0.16011053 0.32859232 C 41.59993901 36.56994755 36.72102384 1.09394836 -0.49845192 -0.31080071 C 42.56413860 37.42957765 34.86420263 2.79332464 2.97758657 5.14210921 C 43.67982227 38.56376137 35.86736005 -3.85522099 -3.24677622 -2.93660456 C 42.61007463 35.29825864 38.24768796 21.13437693 11.39099541 7.34175811 C 43.94092265 35.91364046 38.80687150 -24.17015920 -8.87341869 -6.62153363 C 39.63485376 37.67682157 37.44339995 2.56758759 -1.26085725 3.94695989 C 40.92663375 38.45262663 38.77269330 -4.75210930 -1.55480495 -2.55916260 C 34.75331176 39.95945902 35.10549878 1.12903441 1.15120112 0.98221221 C 36.14575737 41.37692186 36.24085714 1.24301568 2.80670093 -3.23452814 C 37.20667517 42.00343944 34.97929580 -3.12757448 -1.63545219 4.60888551 C 38.61643991 43.32327578 36.40123177 4.79001444 -3.40298792 3.12080499 C 37.95366604 39.83987416 37.71888199 4.58195145 1.39956899 0.30851570 C 39.18297782 40.79320854 38.39174556 -5.79910767 -2.05030672 -1.93644921 C 35.30609528 42.83814538 37.63905551 2.81917883 0.77670042 2.75520216 C 35.90975672 43.66349090 39.11824152 -1.84898699 -2.66589779 -4.83268788 C 39.88986439 39.83243688 35.14031394 -2.71781104 -1.74644845 1.18619814 C 41.60365422 41.12475624 36.46651109 5.77287375 -5.91005517 5.07653882 C 41.88430911 43.32139253 35.45702886 0.61073471 -0.10780268 0.40461670 C 43.88885915 43.95496023 36.62908149 -0.55420441 -0.17545615 -0.31540730 C 42.56492212 40.09122498 37.35935114 -2.14019938 7.99406556 -3.07334042 C 43.97769358 41.09133389 38.54532507 -3.11755154 -2.30703648 -2.71017551 C 39.66448343 42.68403127 37.11226018 -4.82413809 2.39337320 -1.96507944 C 40.97555741 43.31914392 38.89352680 7.04194970 -2.90608791 3.74299253 C 35.05615299 35.04331559 39.53882749 2.92452621 3.33531682 4.21749210 C 35.95104391 36.09305905 40.80373547 -1.51440035 -4.92891664 -2.24707262 C 37.40502288 38.03460199 39.31542199 1.48867152 -4.65578198 -1.36300186 C 38.55150311 38.51894432 41.22282959 6.42239456 5.82393579 -3.78207736 C 37.07742728 34.96989052 42.36669775 -1.24708251 1.43636657 -1.82478441 C 39.08450338 35.75571598 43.58475277 3.55735340 3.32965617 -2.19109248 C 34.99655912 37.96978731 42.51668654 3.96155412 3.23301251 3.16102759 C 36.22422232 38.91950201 43.54655608 2.26220196 2.47093768 -5.94749577 C 39.50784436 35.07431287 40.41040162 0.45363075 0.24702812 0.07590556 C 41.48837336 36.00831489 41.43404765 8.29791536 -6.40456748 6.47906714 C 42.84911873 36.79273967 40.40924506 -0.25711681 1.99934686 2.78050497 C 43.60556472 38.49425818 41.03735392 -3.41592113 -3.79498088 -1.09240381 C 42.20384740 34.85081933 42.03810700 -5.67478176 12.33221151 -3.15980810 C 43.32635008 35.43963479 43.81542093 -1.61597348 -0.92577314 -2.56689502 C 40.48498715 37.00409575 42.77385137 0.33758185 -2.38741807 0.45669037 C 40.93736252 38.73073442 43.82601648 -1.01218670 -4.17358426 -2.44668759 C 34.83286624 40.12395794 39.64926184 1.42170998 0.23051597 0.28788531 C 36.13233525 41.76260394 40.79037489 -4.58332337 1.84909723 3.35177755 C 38.28283694 42.21827495 39.80335328 5.70684797 14.90664333 15.24125354 C 38.63834321 43.28337470 40.87827378 -5.11443781 -16.35684809 -16.49984830 C 37.36102597 39.94186987 42.87644269 -1.89663307 -2.06478197 3.91094118 C 38.76188179 41.15584957 43.42846539 -3.38433208 -3.12231733 -1.75877809 C 34.96909146 42.45741379 41.87629674 4.30411139 -2.39978701 -3.75699182 C 36.64358137 43.55281325 43.36211719 -0.11246505 -0.03018992 -0.04605583 C 39.61298381 39.49178935 40.36805486 -4.14173283 -4.91244572 3.84114733 C 40.89974943 41.25928022 41.12165250 1.29314140 -0.59061050 6.15155972 C 42.34497277 42.80178516 39.71375535 -7.74544445 2.84066764 -4.75975406 C 43.47796506 43.86597455 41.94511614 -1.22382654 0.13226033 1.06802002 C 42.35982164 40.14088913 41.99135995 -2.58640545 1.33640607 -3.28465610 C 43.75046248 41.78466768 43.69004715 0.13440586 -0.09640496 0.18020329 C 40.39757659 42.11536967 42.13716159 0.83179603 -3.83724945 -3.51203500 C 41.69801297 43.81962023 43.41712439 1.18863960 0.06476939 -1.07518346