108 Lattice="12.200248876111331 0.0 0.0 0.0 12.200248876111331 0.0 0.0 0.0 12.200248876111331" Properties=species:S:1:pos:R:3:forces:R:3 energy=-577.5965625136181 stress="-0.010124980893381982 -0.0022675730684339587 -0.0005256483611582498 -0.0022675730684339587 -0.009405188189808525 -0.0001048302244317735 -0.0005256483611582498 -0.0001048302244317735 -0.009417718572076782" free_energy=-577.5965625136181 pbc="F F F" W 0.00132256 0.01679375 0.04053173 -0.79138241 -0.75681276 -0.72492946 W 2.01545694 2.01152886 0.03962603 1.39994565 2.13316095 -1.93039203 W 2.05108151 0.03138704 1.99628538 0.68908417 -1.67302456 2.30085513 W 0.01662069 2.04003314 2.02931161 -1.45743054 1.15859305 1.59569607 W 4.08856684 0.01167886 0.01413563 -0.28116811 -1.13047744 -1.39854317 W 6.06313568 2.04540219 0.00216907 0.86889003 1.20745553 -0.84447972 W 6.08225835 0.00315851 2.00747336 0.28295420 -0.79413096 1.71888730 W 4.05558217 2.01644326 1.99472215 0.31192672 2.48243886 2.84736039 W 8.14509341 0.02928884 0.02399237 -1.28264027 -1.02409200 -1.25223198 W 10.14404871 2.04254119 0.02110059 1.41653711 1.01360853 -1.11617227 W 10.17202436 0.00884515 1.99661284 0.73800204 -0.96406279 1.42892883 W 8.13993906 2.04242237 2.00809199 -1.74787569 1.16304233 2.03573674 W 0.01806870 4.09996568 0.01384567 -0.81628624 -0.30888112 -0.62126642 W 1.99688544 6.11748935 0.00021657 2.23059477 -0.50318215 -0.80481809 W 2.00814079 4.08002553 2.07088515 2.27228121 -0.05194155 0.55752741 W 0.01868117 6.13225967 2.04231027 -1.27348916 -0.39209365 1.01732965 W 4.10361729 4.08535553 0.02967758 -1.21639295 -0.31491764 -0.83283377 W 6.09215946 6.08563363 0.02293837 0.96946032 0.24224410 -1.18700834 W 6.13477129 4.10325482 2.06160520 -0.46587205 -1.57185744 0.79428212 W 4.09054986 6.07474925 2.00319686 -0.74663259 0.57965359 2.23540025 W 8.15199765 4.05487389 0.00324399 -1.36923473 0.30165198 -0.92464620 W 10.15220523 6.11327514 0.00562432 0.86051872 -0.51254842 -1.07094716 W 10.20034670 4.09683572 2.04230206 0.63125023 -0.44588753 0.67950193 W 8.13564540 6.07970329 2.02160491 -1.10141034 0.22606194 1.36905530 W 0.03180002 8.11767494 0.00913570 -1.60665416 -0.61567594 -1.12063029 W 2.00096402 10.13259706 0.02052119 1.57154211 1.05399528 -1.23281948 W 2.03771549 8.13666409 2.01872279 1.65391598 -1.56908169 1.54938032 W 0.01127847 10.15372253 2.01997370 -1.06820922 0.88833334 1.07234642 W 4.10556123 8.11242153 0.02314586 -0.75551789 -0.62923471 -1.17761769 W 6.12792528 10.13998538 0.00267917 -0.40035030 1.13945921 -1.04027230 W 6.12542369 8.16557681 1.99514790 -0.32272684 -2.24470495 2.54766957 W 4.05521937 10.15526249 2.04040809 0.15152294 1.02931431 0.70837246 W 8.16149413 8.13972223 0.00321981 -1.30118944 -1.09249434 -1.13316348 W 10.15361519 10.18885895 0.01114163 0.31579271 0.38213427 -0.21536792 W 10.17784303 8.10210172 1.99681219 0.83994386 0.05704305 1.46330989 W 8.10456727 10.19485992 2.03922010 0.15284253 0.72142821 0.88211184 W 0.03355621 0.02850609 4.10530391 -0.82595062 -1.05774644 -0.76892789 W 2.01198205 2.05627863 4.09341740 2.42388759 1.52052578 -1.04823095 W 2.07297345 0.03527533 6.06401140 0.42390653 -0.96843246 0.74565266 W 0.04021803 2.04154860 6.07841401 -1.68804556 1.13549304 0.52418480 W 4.04238382 0.02445034 4.08851460 0.37682228 -0.76702776 -0.85815031 W 6.07619179 2.01236505 4.07724473 0.51680791 1.89497967 -0.72080834 W 6.07161034 0.01243050 6.10669795 0.47306998 -0.71423972 0.11843594 W 4.10715276 2.06995176 6.07938358 -1.07426264 0.96753739 0.15500455 W 8.10804318 0.01370507 4.07908957 -0.61262339 -0.56984426 -0.30368641 W 10.17464224 2.02303060 4.04394307 0.61376776 0.53679909 0.30596379 W 10.13031297 0.00251919 6.12718283 0.74221700 -0.36902088 -0.39369847 W 8.09526564 2.04763966 6.13904323 -1.15695562 0.87915156 -0.52015000 W 0.00838926 4.10383471 4.07374303 -1.00772956 -0.29929632 0.08837127 W 2.03123238 6.10493696 4.06902324 2.04242977 -0.36049435 0.46333400 W 2.03541145 4.03839021 6.12890066 2.04510918 0.94624128 -1.04455284 W 0.02620876 6.08024811 6.11792139 -0.72817998 0.65701942 -0.51253663 W 4.10585945 4.08000610 4.07216390 -1.05839565 -0.15754436 -0.37424092 W 6.11809662 6.07847923 4.04790027 -0.15958873 1.06017805 0.86497317 W 6.07484220 4.09889296 6.11508923 1.23976403 -0.63425949 -1.29562858 W 4.08091846 6.07009608 6.14347761 -0.87767381 0.88375175 -1.35091307 W 8.15055398 4.01697389 4.06313819 -1.67557805 0.96600367 0.43010160 W 10.19095885 6.10378567 4.03030323 0.23609133 -0.19659152 1.07575886 W 10.13122806 4.02756429 6.08363460 0.73646173 0.69813659 0.44793484 W 8.14065033 6.11387959 6.13339072 -1.16367200 -0.45769771 -1.00282858 W 0.03700433 8.13622963 4.05230172 -1.07333390 -1.03445490 0.76948725 W 2.01893892 10.15901607 4.08171072 1.26970598 0.81124581 -0.18445140 W 2.05739252 8.10906189 6.13386962 1.29415365 -1.43317504 -0.54167881 W 0.03748408 10.15447913 6.11842113 -0.91449955 0.70380514 -0.30017086 W 4.04067632 8.11305164 4.03421812 1.13789617 -1.17771637 0.83463735 W 6.11258217 10.20426404 4.03858299 -0.72746804 -0.06553590 0.62602482 W 6.09598973 8.17157816 6.10421805 -0.27769227 -1.93467859 -1.00708288 W 4.02971552 10.18203059 6.11288681 0.54095965 0.34382185 -0.54260339 W 8.14673371 8.09748831 4.04004253 -1.54942183 -0.78131279 0.47088733 W 10.13850946 10.14057696 4.07925346 0.96475237 0.47961316 -0.56107770 W 10.19332543 8.12689088 6.12572796 0.31897893 -0.53176533 -0.35634503 W 8.13801405 10.17764250 6.05747495 -1.00070200 0.34507920 0.73370794 W 0.04001532 0.03067461 8.13343551 -0.83328416 -0.87585642 -0.93725011 W 2.01211433 2.05195500 8.13762401 2.08902343 0.80410102 -1.19920901 W 2.02828002 0.00436032 10.19324177 1.11920995 -0.72946101 0.42914547 W 0.03076132 2.04910478 10.20034899 -0.80875058 1.07092011 0.49655276 W 4.04357018 0.00274908 8.06297995 0.22249608 -0.44920808 0.64658784 W 6.02522810 2.09461210 8.14967409 1.21632711 -0.78007904 -1.38057242 W 6.13739093 0.02956063 10.18675516 -1.04199093 -0.64992739 0.07317236 W 4.03871846 2.04309179 10.16193921 0.47425449 0.13452632 0.85899172 W 8.12677049 0.01192169 8.12708221 -1.50607755 -0.91551524 -0.87827422 W 10.17379596 2.03065055 8.16349381 0.91963867 1.11634781 -1.45041209 W 10.15771557 0.00036205 10.16472719 0.38654653 -0.53632404 0.43333019 W 8.12598587 2.00670568 10.14303631 -0.88908735 1.51854060 1.18944509 W 0.03385647 4.09316604 8.10345459 -1.45201137 -0.59236962 0.38947297 W 2.01965038 6.06145185 8.16959683 2.03365847 0.48959640 -1.77614717 W 2.09341273 4.05566506 10.18813769 -0.39045095 0.23597722 0.68583782 W 0.00472316 6.13748920 10.19154844 -0.69428533 -0.84734638 0.48518385 W 4.08566154 4.04215331 8.11317268 -1.10490554 0.76228560 -0.39618762 W 6.07005434 6.06724164 8.08368770 0.55194548 0.93236621 0.68737443 W 6.10116246 4.05590353 10.17425637 -0.46760750 0.39436506 1.02257198 W 4.03679656 6.07036231 10.17733453 0.84778380 0.42353881 0.32855513 W 8.07766738 4.04579875 8.14715641 0.27795925 0.66201622 -1.39734251 W 10.20473695 6.12824498 8.11682042 0.20649343 -1.33321042 -0.51081214 W 10.15790321 4.03791329 10.18070918 0.48892906 0.38520296 0.30800564 W 8.13592358 6.06377181 10.16923823 -1.02878768 0.61912155 0.31612952 W 0.01840905 8.13764195 8.11883520 -1.57890318 -1.34661914 -0.86667813 W 2.02390676 10.13723025 8.14367832 1.54679530 1.48612410 -0.61236154 W 1.99943895 8.12361106 10.13240910 2.24144790 -0.69995869 1.45970308 W 0.02347178 10.14485984 10.18512314 -0.65582320 0.53038779 0.40588289 W 4.08710091 8.13071761 8.15030389 -0.51140741 -1.41514871 -1.23074571 W 6.08687156 10.16592787 8.12277731 0.39301060 1.09176091 -0.87302966 W 6.06546936 8.13207907 10.16840086 0.45008281 -1.66942310 0.73668490 W 4.10520634 10.19150316 10.18472871 -0.67993808 0.38914885 0.40506149 W 8.11034013 8.13041723 8.15571899 -1.03032234 -1.05674631 -1.37236326 W 10.13798417 10.19145132 8.16823691 0.44491392 0.66474029 -1.21516029 W 10.19393781 8.13436067 10.13524331 0.40024177 -0.79518744 0.95932492 W 8.11062247 10.16333550 10.19893241 -0.81467594 0.47824807 0.63722287