108 Lattice="16.466408848821473 0.0 0.0 0.0 16.466408848821473 0.0 0.0 0.0 16.466408848821473" Properties=species:S:1:pos:R:3:forces:R:3 energy=-103.28954237049862 stress="-0.00021283428354519827 -1.9993746473908074e-05 1.2645717848159352e-05 -1.9993746473908074e-05 -0.0002437913631347645 -5.2026513305314885e-05 1.2645717848159352e-05 -5.2026513305314885e-05 -0.000203025337921662" free_energy=-103.28954237049862 pbc="F F F" Na 0.04622528 0.03925008 0.03634380 0.03177060 0.02835070 0.02276991 Na 2.77361448 2.79676240 0.00677101 -0.02199608 -0.06007233 -0.03397124 Na 2.76929969 0.05396032 2.73151515 -0.02750112 -0.03261411 -0.02224620 Na 0.01129398 2.72727808 2.72078779 -0.01824889 0.01264477 0.00451383 Na 5.52270271 0.00276205 0.00361893 -0.01032047 0.01812591 0.01107262 Na 8.19979959 2.79643042 0.02236382 0.01940668 -0.01920083 -0.01790033 Na 8.25187760 0.02477879 2.72388942 -0.01031603 -0.03465308 -0.00025052 Na 5.45124494 2.70117871 2.71893774 0.03559348 0.03135046 -0.00403666 Na 10.95916334 0.01703894 0.04304614 -0.00206825 0.02733550 -0.01406201 Na 13.71448480 2.76994846 0.08288231 -0.01268820 -0.00995991 -0.00699719 Na 13.68116235 0.01450515 2.69304036 -0.01792380 0.01729274 0.04512689 Na 10.97095170 2.71014895 2.74603011 0.03175419 0.03247058 0.00041103 Na 0.03783572 5.48756985 0.05333782 0.00801197 0.00133562 -0.01081604 Na 2.73737695 8.28343696 0.04902317 -0.00484706 -0.03744444 -0.05182546 Na 2.71772814 5.46575693 2.73891034 0.01099659 0.03503108 0.02565239 Na 0.04933798 8.23792765 2.72728832 -0.04950942 0.01146815 0.02158023 Na 5.43996035 5.50460091 0.04194189 0.02106195 0.02784664 -0.02725432 Na 8.26630398 8.26329274 0.04457091 -0.01396314 -0.03729394 -0.05050566 Na 8.22300021 5.51121877 2.74947194 -0.01310921 -0.03272192 -0.03376926 Na 5.50943682 8.26340451 2.71180389 -0.03850347 -0.03151892 0.03618941 Na 11.02770669 5.51938191 0.03857340 -0.00739618 -0.02552857 -0.01451037 Na 13.76956283 8.21190233 0.05287666 -0.03884238 0.01616963 0.03167921 Na 13.74848581 5.45293454 2.80528436 0.00553748 0.01847254 -0.01300207 Na 10.94137680 8.18210005 2.73438396 0.08332331 0.06969473 -0.01259592 Na 0.07097350 11.02435098 0.01880583 -0.01809537 -0.01027236 -0.00709618 Na 2.69122820 13.76697221 0.02378724 0.04196910 -0.03748037 0.00950756 Na 2.71487518 10.94969607 2.71107002 0.02271644 0.08213036 0.01654225 Na 0.00180527 13.71800294 2.70345169 0.01091542 -0.01056993 0.01675566 Na 5.52324269 10.95331243 0.00432909 -0.02941241 0.07199818 -0.02389316 Na 8.24485352 13.76912638 0.02392106 -0.01420448 -0.03444169 0.02502218 Na 8.19403889 10.95374194 2.75257455 0.01929762 0.04627862 -0.02271521 Na 5.47120969 13.76782418 2.69784016 -0.01830832 -0.01669372 0.02353441 Na 10.95558033 11.01873490 0.00073943 0.05163173 -0.01395394 0.00781766 Na 13.77041491 13.71016620 0.02619917 -0.05264588 -0.02914046 0.03310786 Na 13.76550209 11.01703660 2.71640029 -0.01484787 -0.02048037 -0.00288561 Na 10.95073617 13.69026968 2.73867254 0.05947285 0.02980033 -0.02730937 Na 0.01803016 0.04945148 5.45006116 0.02047213 0.01054397 0.01224093 Na 2.73815839 2.77418899 5.47863625 -0.02249431 -0.04626575 0.01024394 Na 2.69665451 0.01184839 8.28717643 0.03128280 -0.03227789 -0.06670645 Na 0.05256772 2.72558308 8.27573750 -0.04897433 0.00424446 -0.04581154 Na 5.48492963 0.05450628 5.44595071 -0.02002879 -0.03669451 0.02272019 Na 8.26106178 2.72430370 5.44612753 -0.02858765 0.01773091 0.02519690 Na 8.18740167 0.00660127 8.18133578 0.03953295 -0.02067153 0.04072740 Na 5.46675457 2.71136255 8.22985808 0.01813621 0.02829654 -0.01233986 Na 10.95016152 0.01507019 5.52422979 0.05630385 -0.01489976 -0.01790477 Na 13.77418245 2.74672064 5.52572809 -0.03138518 -0.04244263 -0.02133781 Na 13.68762894 0.00790824 8.28322890 -0.01317818 0.01368418 -0.02369812 Na 10.98094543 2.79266469 8.24989705 0.00963282 -0.04663105 -0.01171979 Na 0.01059769 5.50086708 5.52320291 -0.03896910 -0.01771028 -0.03001825 Na 2.70865790 8.27437599 5.52564420 0.03027813 -0.03400953 -0.03352137 Na 2.71912117 5.47161428 8.17927606 0.01723767 0.00899497 0.02604686 Na 0.03209908 8.26745593 8.22717239 -0.04486838 0.00546182 0.02405938 Na 5.50098204 5.45882009 5.46148355 -0.00575246 0.02400936 0.01066889 Na 8.25081623 8.21854427 5.47311544 -0.04034108 0.05267961 0.01550604 Na 8.26214157 5.52505132 8.22506739 -0.01452003 -0.03727152 0.01357744 Na 5.49232474 8.22120468 8.28483277 -0.01192665 0.01097879 -0.07235200 Na 10.92888193 5.52348638 5.46000831 0.07965615 -0.04719918 0.02061576 Na 13.69964596 8.25306044 5.50178814 0.02863000 -0.01248730 -0.02381362 Na 13.76859198 5.43507166 8.24646995 -0.01301119 0.04970741 -0.01101555 Na 10.98503497 8.26548772 8.18586105 0.02621625 -0.01322225 0.04712988 Na 0.02622062 11.04549474 5.50386072 -0.02978058 -0.01485575 -0.01477750 Na 2.66051322 13.72648803 5.51885719 0.03991355 0.02458605 -0.04745662 Na 2.75530040 10.99555706 8.24576952 -0.03733147 0.01576122 0.00978489 Na 0.03022991 13.76498881 8.26882779 0.01176529 -0.02737354 0.03667188 Na 5.41096405 10.99749583 5.47280822 0.03979187 0.01044782 0.00565586 Na 8.28103902 13.67043082 5.43441013 -0.04893428 0.02092527 0.01659247 Na 8.20410017 10.96914924 8.26689665 0.00800795 0.00501343 -0.06725696 Na 5.47950876 13.71895805 8.20529060 0.00376435 0.03525087 -0.00934254 Na 11.02858016 10.99500543 5.43712213 -0.02674405 -0.02061050 0.01067118 Na 13.70024751 13.70430086 5.51785877 -0.01264310 0.00132296 -0.02981546 Na 13.72381667 11.00676292 8.21393951 0.01997158 -0.00063919 0.03501549 Na 10.94777194 13.67990577 8.19098497 0.03013421 0.02661125 0.04279064 Na 0.03926776 0.02135848 10.92554942 -0.01352481 0.01524727 0.05751239 Na 2.73276261 2.73448827 10.95023426 0.01657013 0.03385227 0.07309994 Na 2.69219903 0.01265004 13.67709321 0.02784084 0.01325798 -0.02345183 Na 0.05052350 2.73426408 13.77385166 0.01127053 -0.00942334 -0.05037125 Na 5.45446638 0.02932988 10.95700468 0.01134628 -0.03005991 0.04398513 Na 8.25578905 2.69282603 10.96858018 -0.01819254 0.03479705 0.02307798 Na 8.17533552 0.05005643 13.76817183 0.03454217 0.01548938 -0.03527321 Na 5.49687620 2.74339102 13.75142203 -0.02842674 0.02944676 -0.02394127 Na 11.01580109 0.03778456 11.02891405 -0.04368239 -0.03533338 -0.00488015 Na 13.72445268 2.68989168 10.96353569 0.02998342 0.02796445 0.04277247 Na 13.72972414 0.00669459 13.74087985 -0.02987721 0.03945291 -0.03323926 Na 11.01893036 2.78776047 13.69093095 -0.01157078 -0.04795828 0.03249706 Na 0.03464365 5.46341521 10.98324766 -0.03223470 0.01793379 0.03002498 Na 2.72283965 8.18652551 10.93750134 -0.01029698 0.04127624 0.07131290 Na 2.71578491 5.50320245 13.75859884 0.01213777 -0.01834128 -0.01329477 Na 0.01570415 8.27390794 13.77332564 0.02853765 -0.00729094 -0.04463209 Na 5.51375876 5.53141118 10.92651369 -0.03026316 -0.07134801 0.06857346 Na 8.21540001 8.24376487 10.98687096 0.02939765 0.03093975 0.01883696 Na 8.28831746 5.53088285 13.67407327 -0.02935832 -0.04629655 0.02501633 Na 5.47447527 8.18510416 13.75796339 -0.00253502 0.05815745 -0.02001961 Na 11.03156536 5.50997899 11.01945325 -0.01680126 -0.01656973 -0.05307568 Na 13.67335712 8.24146705 11.01584683 0.03768766 0.02175321 -0.02717562 Na 13.68921909 5.49889590 13.73481484 0.00862863 -0.01515570 -0.01616996 Na 10.98476261 8.20848594 13.68967718 0.01781214 0.05968220 0.04135246 Na 0.03451024 11.02764165 11.04926334 -0.01979251 -0.03689250 -0.04856530 Na 2.76981835 13.67150199 11.01222359 -0.02586529 0.06325861 -0.02903781 Na 2.72940520 11.01962102 13.72300748 0.00764730 -0.05621067 0.02124751 Na 0.01458929 13.69061710 13.66866979 0.01810393 -0.00155373 -0.00868750 Na 5.44635444 11.01186166 10.93729936 0.01813707 -0.06059649 0.06841156 Na 8.19855942 13.67597982 10.95241291 0.00729963 0.04088844 0.01869548 Na 8.26828619 11.01255126 13.73339484 -0.03158338 -0.03008462 -0.00189943 Na 5.45953395 13.64588112 13.64778944 0.01960668 0.01975248 0.02484416 Na 10.97029164 11.02126484 10.96690007 0.03996562 -0.03254011 0.01304740 Na 13.73946932 13.71954891 11.01330701 -0.01490094 -0.02140830 -0.04981576 Na 13.74972589 11.02156424 13.72880542 -0.03481455 -0.02955162 -0.02637810 Na 11.03191417 13.67789400 13.61314254 -0.02276285 0.01872056 0.01493230