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=74.25616790416099 stress="-0.00040473783747355026 -0.00026286401383874473 0.0002258497777607624 -0.00026286401383874473 -0.0006890954057076803 -0.00013048217776258491 0.0002258497777607624 -0.00013048217776258491 -0.000566425798505227" free_energy=74.25616790416099 pbc="F F F" Si 34.89459011 35.58206287 34.87464005 -3.15434774 -1.39020454 -3.74833053 Si 36.45449144 36.27758894 36.61372212 -0.39975124 -8.42547111 1.22057330 O 37.43536694 37.54187390 34.81531496 1.82555014 1.62726623 9.65501823 Si 38.24867609 38.32567139 35.98203926 -3.10605403 0.48261781 -14.64797993 O 37.41172819 35.42903887 37.58996423 2.56323435 13.65501420 -0.59744410 Si 38.73333642 36.33692648 38.30369543 4.68870013 -27.11129496 -8.21941538 O 34.58905584 37.85266824 37.87722677 8.22597686 0.17998960 -2.33775430 Si 36.10135932 38.21117538 37.98932889 -14.30120162 3.13713489 3.13902345 Si 39.72742485 34.89154193 34.90225920 5.79973593 3.50056274 1.36271277 O 40.81987063 36.35985986 35.76626284 -18.69200594 -6.30026256 6.88133479 O 42.41445021 37.17191986 34.70343381 10.90222499 7.86390557 -5.94895786 Si 44.00952489 39.38058250 36.27580462 6.18248980 -3.60563333 -7.52686591 O 42.24358077 35.18034749 37.79529629 4.65098801 3.06654532 5.41294882 Si 43.33004603 36.18404294 39.02625186 -8.11385879 2.18641936 -1.14733623 Si 39.89878546 37.94867721 37.59399872 17.93093619 1.74629223 -2.14434131 O 40.99528402 38.96223767 38.82023254 -10.36984504 1.41750388 -15.40360139 Si 35.14226304 40.67957631 34.97975650 -1.50968787 -2.24999767 -8.52142921 Si 36.35299683 41.36961439 36.86193440 12.94259242 -2.47415681 1.38973853 O 37.54610804 42.11907655 34.89760706 -3.94822608 -4.71878625 3.71439026 O 38.98975929 43.97971605 36.22598681 3.15090467 -4.60918643 4.89337928 O 38.07760178 40.41059779 37.48116017 0.75434558 2.40232084 3.74471285 Si 38.66085160 41.41091767 38.82356679 -8.80976451 4.67784716 7.04355962 Si 34.96802350 42.55253863 37.08347222 -6.33159744 10.76704618 5.46005516 O 36.43261332 43.26911666 39.10764363 -8.08329009 -0.97774750 -8.20248659 Si 40.35597799 40.73844663 35.25150174 -10.78184170 -5.77635887 -7.94042325 O 41.13399437 41.65569504 36.06444122 4.54467807 0.48515483 0.88894501 Si 42.42673311 41.57963776 35.03631820 2.30628511 8.08426754 1.51679153 O 43.47248627 44.15888016 37.20637526 -2.62313187 -1.00579568 0.16839678 Si 43.23578718 39.64022924 37.87229896 -1.74788579 5.54681854 18.96337096 O 43.99995851 40.82623522 38.67472124 -1.90443906 -8.17846862 -9.06188550 Si 39.67321906 42.30504928 37.24070894 0.00538282 9.52181941 -8.56452833 Si 41.53486626 43.56687584 38.80349892 10.26213589 -0.86349075 6.83862218 O 34.51994484 35.37695035 40.52301755 8.64463033 3.79227079 7.36262184 Si 35.75374871 35.85761187 41.65069931 -16.87506521 -8.84971236 -10.80126923 Si 38.30419667 37.22067313 39.47168489 -0.75236493 0.45424255 12.99864768 Si 38.54814022 39.06144769 41.52200380 15.85326472 -2.22597561 3.83306588 Si 37.44645137 35.19113505 41.77749263 12.71113543 -9.43229310 2.14514982 O 38.63898356 36.63044221 44.16170843 -8.71741569 -1.41209977 -0.10581373 Si 34.98578387 37.59650947 42.83127865 -24.18987447 -2.47942444 -3.07554608 Si 36.27153045 38.00311520 43.35421160 14.31757819 1.44021188 16.51887245 O 39.76952738 34.84136491 39.58545706 -5.16913426 4.55653553 -1.86252862 O 41.12588004 36.69758804 41.02778404 -0.78608057 -25.48408983 -5.39993249 O 42.38368233 37.62245546 39.85593507 13.54324289 -9.63726053 -26.22444572 O 43.45925024 38.81189841 41.07669840 9.71377667 11.56588135 11.16527956 Si 42.25135495 35.05995578 41.56765694 -4.90879223 7.72265063 0.43441477 O 44.17952042 36.36059673 43.68178520 -0.12444312 -1.39363957 -0.60844461 O 40.11876467 37.50736042 42.46959328 -33.48156821 -1.18900276 -15.41017835 O 41.00512234 38.33435622 43.87133246 17.38949262 18.52022923 26.82861515 O 35.19518869 39.92843853 40.40985097 4.31499439 2.94750941 5.73573164 Si 35.39254805 41.76037883 41.45357008 5.18954579 -8.55640573 -17.92266659 O 37.94138345 42.25058087 40.43113249 -6.04667989 -62.27037476 -21.86640178 O 38.27564792 43.83901493 41.07807814 8.12925416 52.61095409 21.42513380 Si 37.16285154 39.67420956 42.38465067 -0.87739439 12.69373198 4.90296798 O 38.77494572 41.65889214 43.85757860 -8.21963807 -6.25476349 4.03158067 Si 34.71830078 42.66402395 42.61566532 -10.24652569 6.42754809 7.01683972 Si 36.62997366 43.81515148 43.45406129 9.49990153 3.65402405 1.16172250 Si 40.13412559 39.56118959 39.82540270 11.60514955 5.37340742 9.83375757 O 41.74568208 41.08895030 40.85241932 -12.96737913 -23.26879861 15.41055935 O 42.60655448 42.58709541 40.01068003 -0.01109348 20.24219601 -18.77231696 O 43.99533608 43.96139915 41.11119658 3.97709812 5.44356330 5.04850260 Si 42.65935400 40.52874563 42.29262084 4.93931839 -2.64147218 -6.37030653 O 44.13848259 40.74886425 43.09456772 -6.50243199 0.93985340 -1.33953352 O 40.09822939 42.86254269 42.56945041 12.53553566 4.63885375 0.03083718 Si 41.91488576 43.22397327 43.55437267 -5.34726926 -0.59002199 -4.40570964