108 Lattice="6.46316077118329 0.0 0.0 0.0 6.46316077118329 0.0 0.0 0.0 6.46316077118329" Properties=species:S:1:pos:R:3:forces:R:3 energy=1302.5719245195128 stress="-10.96225250837557 0.011364057078251666 0.06051035841746567 0.011364057078251666 -10.972041244048961 0.031899503658193676 0.06051035841746567 0.031899503658193676 -10.961268805350143" free_energy=1302.5719245195128 pbc="F F F" Ne 0.01628294 0.03518592 0.00599899 -23.68133965 -20.35732220 -20.75980015 Ne 1.07057124 1.03708253 0.00333959 1.10017875 6.81119106 -37.31766895 Ne 1.04497655 0.00263055 1.04103477 2.10170330 -40.62667097 4.09658469 Ne 0.00306473 1.09315259 1.09990958 -37.41103763 -3.01449828 -2.60374447 Ne 2.14809304 0.00786933 0.03035732 2.06189541 -28.78115730 -28.86045938 Ne 3.22213634 1.10142943 0.02955499 -4.18492021 0.75815259 -40.89035510 Ne 3.24479169 0.02193126 1.04040538 -9.84278107 -37.46381215 5.10737426 Ne 2.11369980 1.07613494 1.06768251 7.67420923 1.95964631 2.91939395 Ne 4.28023080 0.01056436 0.03706728 3.38397021 -31.09873489 -34.08645328 Ne 5.35458091 1.10058138 0.02591365 29.58568454 -1.42226584 -31.28874728 Ne 5.41576389 0.03381114 1.01646029 27.19368117 -27.97916118 4.79120932 Ne 4.27920043 1.02977180 1.04265586 8.78107000 6.11893669 7.35998425 Ne 0.00243919 2.10764128 0.04069935 -26.74969561 0.94637404 -30.10021293 Ne 1.07400063 3.21668701 0.01725253 -3.58252357 -0.18178227 -40.69404465 Ne 1.07915408 2.18111205 1.10979366 1.22031338 -7.46055861 -5.47045144 Ne 0.04079634 3.19543017 1.04484672 -40.71960876 5.06472206 2.29877766 Ne 2.12400787 2.17320491 0.02372331 0.70042762 -4.99023783 -35.09497066 Ne 3.18999619 3.19217555 0.03660394 6.35810355 4.52176411 -35.69804508 Ne 3.27229174 2.12021329 1.09175102 -9.33991122 4.68244690 2.82305178 Ne 2.13899208 3.24606970 1.06975386 4.79815623 -6.86751271 1.42172237 Ne 4.33060355 2.13877037 0.04018417 -3.22792154 1.72604169 -40.06216519 Ne 5.39615594 3.19543440 0.03903826 30.44188465 5.73893131 -30.96759633 Ne 5.41620213 2.17962525 1.06031458 36.52422163 -6.50176451 9.71725233 Ne 4.35069763 3.20253072 1.04021444 -6.28091498 6.16418502 5.64036500 Ne 0.02621964 4.33463384 0.00325362 -28.91485466 -3.57447399 -25.90004246 Ne 1.00239775 5.39848555 0.04117462 6.56985189 28.21216121 -30.47800360 Ne 1.09971929 4.27881908 1.08616611 -7.51447301 6.54218668 2.00749472 Ne 0.02179824 5.42069310 1.06516297 -28.52969250 23.73512518 6.73650224 Ne 2.11620320 4.28819784 0.02366629 3.66274326 5.47305680 -39.56752352 Ne 3.19202649 5.40447998 0.02803513 4.40913451 21.62281881 -24.80278531 Ne 3.19066081 4.28859032 1.11969867 10.73219672 3.61729141 -11.21604910 Ne 2.11752765 5.39280425 1.05316117 -0.59843102 35.86341147 2.43280984 Ne 4.35467489 4.29770305 0.01317548 -6.38335905 2.47264178 -31.94946639 Ne 5.37189685 5.40965568 0.00436321 17.63918211 17.76514521 -17.95229480 Ne 5.40315974 4.34275542 1.11774088 36.36861535 -4.01667873 -7.95195959 Ne 4.33057481 5.41732688 1.10876083 -4.92929406 31.52805521 -7.05241650 Ne 0.02469029 0.02307069 2.16113007 -30.25492323 -29.55126658 -0.23884353 Ne 1.09219883 1.04262973 2.09710528 1.70759503 3.32038523 6.47618921 Ne 1.07364444 0.00084306 3.20214120 -1.79479275 -35.87705155 3.49976431 Ne 0.03684903 1.11765233 3.19358820 -36.00972251 -6.27898495 4.85241980 Ne 2.15962952 0.03113063 2.18469828 0.91046732 -35.46410908 -7.30247054 Ne 3.26555905 1.09060561 2.19833365 -9.29098639 0.17592981 -5.85815693 Ne 3.19498979 0.02798252 3.20452298 4.26838006 -35.34908381 7.65660302 Ne 2.14118367 1.09509801 3.26846685 4.26942242 -0.60953876 -5.87312902 Ne 4.23760061 0.02760387 2.12598656 9.12210039 -38.44528776 3.08128294 Ne 5.37654638 1.04498705 2.18071656 33.70123617 3.15954312 -6.80595840 Ne 5.39447463 0.00053650 3.18870827 23.48032808 -28.58283703 3.16465158 Ne 4.34141730 1.11151905 3.25120410 -1.84241137 -4.10303775 0.65355050 Ne 0.00153170 2.11182481 2.15243115 -36.41247299 7.24741021 0.45130214 Ne 1.09878999 3.18773140 2.13023371 -7.49810775 8.82587791 8.03990775 Ne 1.09379203 2.15236478 3.21879366 -4.30373506 3.05169800 0.51073726 Ne 0.00390180 3.20414352 3.25099991 -32.16073471 2.88023842 2.09988910 Ne 2.13238688 2.18223661 2.18929158 7.80531761 -8.18119198 -6.95998260 Ne 3.20108963 3.26809235 2.15462183 8.31406259 -8.56320707 -0.78646618 Ne 3.22842356 2.14431959 3.20830635 -0.41107785 2.40713607 3.53842217 Ne 2.13842760 3.23637382 3.21108091 -3.14452277 3.89261768 6.37707068 Ne 4.30109183 2.12590963 2.13331061 6.35851621 5.69308862 0.57555378 Ne 5.36037237 3.25938515 2.19699975 37.76602642 -7.46132791 -5.19481026 Ne 5.39666166 2.16873759 3.24963230 35.91502136 -1.24205353 -7.38341517 Ne 4.34969521 3.20115435 3.26661820 -7.32808552 1.26894923 -4.16697855 Ne 0.01902679 4.26687590 2.15835323 -35.43235936 0.86018690 -2.97322612 Ne 1.06469061 5.37976350 2.19713168 3.15474148 34.31421695 -7.41376503 Ne 1.03394162 4.36037811 3.25277897 3.88165393 -9.09952053 0.99082668 Ne 0.01469155 5.42114747 3.18677326 -31.10862940 26.15215212 3.79985270 Ne 2.15299236 4.30324588 2.13931916 -5.33069593 6.55583440 7.68626273 Ne 3.24136611 5.36366053 2.10617325 -0.88704367 34.11570192 7.03559214 Ne 3.23075347 4.27026448 3.23742038 1.07438428 6.20539224 -0.81211578 Ne 2.15317943 5.40027863 3.25469562 5.10258398 32.12523940 -2.09055318 Ne 4.34837239 4.25637975 2.15671672 -8.08552823 4.76881673 1.74219572 Ne 5.34505367 5.35201105 2.12874601 29.44560321 30.72690905 8.46971538 Ne 5.42106543 4.28954837 3.25604787 35.83057433 5.47247317 -0.47254057 Ne 4.30822118 5.38880655 3.25710397 2.64033809 32.80184569 -8.59256097 Ne 0.03459928 0.02536662 4.33582154 -25.02524582 -25.21689788 -0.40988628 Ne 1.11194318 1.10123507 4.26663996 -10.70268211 -8.13999001 4.14277748 Ne 1.11888416 0.03821938 5.42853880 -4.31446717 -26.54562869 26.23283409 Ne 0.01728504 1.11309355 5.38324810 -26.26960664 -3.76723352 28.07932526 Ne 2.12702844 0.02521337 4.30456851 3.39255449 -37.68041177 1.27540841 Ne 3.26738829 1.09820104 4.33952658 -4.42450541 -2.80756616 -3.31871294 Ne 3.24915891 0.01304801 5.35799545 -1.26419785 -26.51484746 27.22472109 Ne 2.13557686 1.08697290 5.37170159 8.37737211 -3.42130452 38.38526050 Ne 4.30500141 0.02558919 4.29215125 4.82497945 -34.95319828 -0.48382533 Ne 5.41854554 1.13977971 4.26627374 34.67664075 -7.40858551 5.00710403 Ne 5.41794539 0.03273352 5.38459623 17.70970433 -17.24296793 14.70173053 Ne 4.35679660 1.08755796 5.39358635 -0.91606339 -2.63377450 35.23318249 Ne 0.00408612 2.11486645 4.32096370 -34.50305568 6.38742922 1.02565402 Ne 1.11115931 3.22788750 4.33702842 -5.94432575 1.69319736 -4.25037117 Ne 1.11973499 2.12050405 5.37261560 -8.55805736 6.03393782 40.47956929 Ne 0.04174167 3.27208193 5.40144485 -25.25477214 -4.61831957 25.82609129 Ne 2.09586329 2.13073511 4.34934420 12.32339519 6.66177973 -6.52506513 Ne 3.20226728 3.20151496 4.25756276 -0.71070759 5.58095024 3.37086842 Ne 3.24674053 2.17887630 5.34533662 -5.42933870 -5.10709693 39.61686677 Ne 2.18070114 3.23046997 5.40517544 -1.74224271 -1.53787595 35.78504315 Ne 4.28476712 2.17330726 4.34763272 5.36180624 -3.19264932 -4.15422384 Ne 5.39486009 3.18971285 4.29203879 36.64512561 3.41955811 8.49780637 Ne 5.40035521 2.14771586 5.40622841 26.74557331 2.43260869 26.84234263 Ne 4.26678777 3.20102916 5.37140460 5.89866587 7.73061022 34.69365253 Ne 0.02305814 4.36693571 4.37352959 -36.83810655 -3.95495369 -7.38450542 Ne 1.07694996 5.42189748 4.31253962 -0.69115557 37.80206717 1.46777255 Ne 1.12185856 4.32554078 5.35790941 -1.21069629 1.65741885 39.31655982 Ne 0.01437770 5.37778487 5.41176576 -17.53297763 20.27893503 21.32169828 Ne 2.15342577 4.33167156 4.35169325 3.79021020 -0.09615402 -7.28293262 Ne 3.31150387 5.35829273 4.27924676 -8.83265381 32.75367301 4.85097845 Ne 3.20765450 4.28367921 5.42731980 6.62428911 4.03603258 30.83089930 Ne 2.18740148 5.40675939 5.37618278 1.82113255 29.12273250 25.14651169 Ne 4.36332062 4.31777893 4.29571386 -2.98639036 -4.51974357 5.31542889 Ne 5.42639344 5.41877930 4.28279186 26.87533284 24.65593748 2.39845776 Ne 5.38494850 4.29084628 5.40160490 24.68033203 -0.10406956 24.59260691 Ne 4.33320737 5.39902744 5.35049454 0.53514601 25.01560217 27.78428774