108 Lattice="6.463160318727114 0.0 0.0 0.0 6.463160318727114 0.0 0.0 0.0 6.463160318727114" Properties=species:S:1:pos:R:3:forces:R:3 energy=1315.6774782706586 stress="-11.045425055637404 0.0028223641964375706 -0.02957567918725694 0.0028223641964375706 -11.056439060847152 -0.035850407280189234 -0.02957567918725694 -0.035850407280189234 -11.059452040714305" free_energy=1315.6774782706586 pbc="F F F" Ne 0.00782165 0.03621170 0.01446994 -18.64636612 -18.52890410 -20.02043239 Ne 1.11302674 1.10675165 0.02524355 -0.06454122 -1.15338192 -38.40176287 Ne 1.05726433 0.03259644 1.08258759 -2.06841564 -39.66884557 -3.15763562 Ne 0.03382694 1.10650800 1.05558225 -39.28931322 -2.92659570 3.63479046 Ne 2.14492636 0.01078486 0.02486866 -0.63589503 -28.79033592 -28.22252993 Ne 3.22318314 1.06590468 0.02156245 1.24220912 0.63567367 -39.76523443 Ne 3.22196093 0.01780473 1.07817345 -1.89834530 -41.23453603 -3.54926744 Ne 2.16220633 1.06001885 1.09803467 -0.59951565 5.49431461 -5.13023124 Ne 4.32340785 0.00161766 0.04074539 1.13386284 -27.61895201 -30.66143342 Ne 5.42604500 1.10965370 0.02354210 27.22487954 -4.62313058 -28.00936792 Ne 5.35535772 0.02603992 1.10715200 31.53801812 -30.65345278 0.06584315 Ne 4.33306669 1.04354729 1.06884523 1.38251085 6.75892336 -2.13111294 Ne 0.03059432 2.15939415 0.03690078 -27.27583397 5.59402041 -29.20074049 Ne 1.13738453 3.27201873 0.01553915 -8.75321911 -5.23034135 -38.13468564 Ne 1.06326652 2.16513273 1.09497738 3.41086048 2.10953159 -1.39770459 Ne 0.02437384 3.26985791 1.13085321 -39.54842270 -5.87133413 -7.44760187 Ne 2.16105228 2.19104154 0.02549056 1.12316170 -4.15303028 -33.99548966 Ne 3.22249342 3.24801851 0.03397474 1.71175346 -7.56959964 -39.94324255 Ne 3.28689038 2.11132962 1.04176110 -7.00600771 7.71701739 5.95578565 Ne 2.14293302 3.26812527 1.06225540 2.22863982 -4.79451577 11.99640753 Ne 4.35080866 2.16842620 0.03509949 -7.07460383 -6.06315215 -43.15038889 Ne 5.36636991 3.19039148 0.02885747 32.06169743 10.43165708 -30.22051880 Ne 5.36566054 2.17572740 1.04957992 39.36490788 -4.61073288 7.26299160 Ne 4.32429014 3.20645145 1.05448165 -1.72101912 6.12945543 7.68447917 Ne 0.00871820 4.28672993 0.03455878 -31.80811853 -0.74209117 -31.08679657 Ne 1.07213238 5.35293449 0.00758896 2.74653380 29.22253074 -31.06002516 Ne 1.03659106 4.32985159 1.03947967 6.06939989 2.30725318 8.94285350 Ne 0.02079354 5.40932603 1.04579048 -28.80886471 27.65587248 2.78798888 Ne 2.18144521 4.29546785 0.02952542 -0.53625489 8.13914147 -39.61313529 Ne 3.25991413 5.38963468 0.02139173 -1.25226098 28.54336229 -25.99063435 Ne 3.25240196 4.27374517 1.03586960 -5.40916347 6.80375483 10.19635895 Ne 2.15452159 5.34875184 1.09481011 -0.68880555 34.31258727 0.93093176 Ne 4.28296122 4.27861166 0.03787499 10.34558095 4.41400922 -39.31436818 Ne 5.40852043 5.39426999 0.03711332 16.63264190 15.89852789 -18.94329524 Ne 5.40104669 4.34855122 1.14147534 36.68227930 -8.06821315 -5.28798515 Ne 4.33707072 5.34820697 1.09684022 -5.99440327 39.96233193 -5.15386977 Ne 0.00327181 0.01413240 2.17956832 -29.74027268 -26.79375110 -4.12793303 Ne 1.09394825 1.05335709 2.13430942 -5.19233427 3.91361141 2.99309284 Ne 1.04565207 0.03761515 3.22215340 5.39984293 -39.24952458 1.98367376 Ne 0.02969032 1.06245871 3.24326552 -37.67798995 5.07022370 -1.57992342 Ne 2.11421621 0.02809495 2.13239542 5.23939088 -39.86840993 3.70465504 Ne 3.27295718 1.06729309 2.08408833 -3.00356703 5.63509388 11.99711124 Ne 3.19026396 0.03369026 3.24353989 8.99856654 -36.87765719 -7.04876441 Ne 2.18001689 1.04222383 3.24991485 -3.65186707 7.95635564 -7.24790127 Ne 4.24157190 0.02982830 2.13393709 6.43632067 -37.92939455 8.63930741 Ne 5.35963683 1.11210219 2.13517886 34.10588016 -1.19464117 2.28453692 Ne 5.35091224 0.01501056 3.21101935 25.37137726 -29.22453298 -2.85379307 Ne 4.34663718 1.11254822 3.30264321 -8.19382386 -7.17046307 -10.95671606 Ne 0.00710675 2.14807524 2.17360342 -36.63223641 -3.10170639 -1.36640668 Ne 1.04538550 3.25132317 2.12808094 10.24362610 -1.52306080 6.21725244 Ne 1.11398709 2.13906478 3.19016292 0.43024519 2.47092485 2.93708296 Ne 0.01019700 3.18907372 3.23215999 -36.03153819 6.54768023 -1.77145416 Ne 2.12980464 2.11654493 2.15029398 7.83090123 8.03843779 -0.89388035 Ne 3.20042301 3.27573095 2.16896026 -0.90700428 -5.04288085 -4.80091162 Ne 3.26504657 2.14010001 3.18134680 -6.22426357 2.10311348 3.47802620 Ne 2.19650929 3.27637695 3.26956498 -8.17977674 -10.09452657 -4.31187045 Ne 4.31627502 2.22792225 2.18272941 -3.67523178 -8.13555904 -4.62169338 Ne 5.37473870 3.18892022 2.15732481 37.73448751 4.25078108 -2.46802215 Ne 5.35315418 2.12144619 3.25019875 37.61026361 6.90261182 -0.77326354 Ne 4.34601790 3.27015224 3.22990258 -4.18047913 -4.95090996 0.28437306 Ne 0.00710427 4.28344123 2.19050881 -39.64815544 4.49030694 -1.03806562 Ne 1.01469194 5.36343465 2.19925643 5.26162607 38.08535144 -9.30217982 Ne 1.08272006 4.33917396 3.22293459 -1.85757905 -3.30947804 5.51163276 Ne 0.00018768 5.41490209 3.18953572 -32.69356443 26.51281641 3.87675655 Ne 2.11531842 4.33754590 2.23942304 4.20534065 -3.48660237 -12.20441224 Ne 3.19834172 5.37965744 2.18685837 2.39528854 33.37629108 -8.01690382 Ne 3.26445809 4.28492548 3.29303925 -0.87361361 6.17603528 -5.33877250 Ne 2.19219150 5.42407452 3.19629712 -5.91332752 35.58884970 7.03461544 Ne 4.25543641 4.34816695 2.11838672 4.67478050 -6.22826180 6.16512755 Ne 5.36308052 5.42629273 2.12415976 28.18243437 28.55553178 6.82919684 Ne 5.41406354 4.27173543 3.17183167 33.88104566 9.41861418 1.41651007 Ne 4.28774279 5.41975379 3.19087532 5.89155293 31.51899507 5.74863195 Ne 0.02599133 0.02843941 4.29241074 -28.34052159 -31.28093996 3.90139399 Ne 1.07947032 1.07595762 4.32137467 0.08071588 -0.86899829 -0.22978036 Ne 1.07908734 0.02126000 5.42541637 1.28164722 -28.40148035 24.05190295 Ne 0.02236605 1.07467217 5.34786468 -31.72860984 0.59249524 27.06163934 Ne 2.19309806 0.02197438 4.26746366 -7.98342053 -38.64843386 11.22214307 Ne 3.19318658 1.10326799 4.28452327 0.99043623 -0.74626084 6.08764046 Ne 3.22286653 0.00985634 5.40636786 -1.37252461 -23.94892144 25.34025266 Ne 2.11628931 1.10685474 5.42238039 3.40419414 -5.18988599 34.51436415 Ne 4.28217278 0.01193401 4.30840297 2.43391802 -35.64263088 2.56981806 Ne 5.42622995 1.08461031 4.25278207 37.36875045 -6.24607725 7.69477992 Ne 5.42334757 0.02118844 5.38127220 15.80286638 -15.87620972 15.57002142 Ne 4.30024485 1.08633429 5.35903737 3.39425825 -6.87406020 37.15329970 Ne 0.00629772 2.19070018 4.25543687 -33.76206445 -3.97855980 7.35630589 Ne 1.03670461 3.27441105 4.26686838 4.04119735 -5.43824276 3.31818851 Ne 1.02952737 2.14405458 5.42779343 -1.64279595 3.38926926 32.99052673 Ne 0.03680908 3.25522231 5.41298296 -29.78350228 -2.91125580 24.82725019 Ne 2.07537921 2.12783380 4.33540011 5.96756693 6.33974723 -3.91156640 Ne 3.21148792 3.22623191 4.28477066 3.39343686 -8.39789573 6.90836576 Ne 3.21940045 2.11802755 5.38495127 -2.54268399 6.28381861 36.19085841 Ne 2.11341181 3.20883805 5.36578906 2.13634363 -1.85166843 34.53827813 Ne 4.27007371 2.10853923 4.36866010 3.12253363 10.90985816 -4.68749365 Ne 5.36625405 3.22033956 4.28983790 37.63327509 -1.79027200 3.80210294 Ne 5.42364289 2.09422054 5.34509792 27.00662870 3.61885643 26.80754693 Ne 4.32783807 3.22741942 5.37658313 -1.90476731 -3.22095637 35.78459409 Ne 0.03473198 4.34205684 4.31883734 -39.51051599 -2.37140557 -3.72016374 Ne 1.03177890 5.41064871 4.26212790 8.33381063 35.41605648 4.16229298 Ne 1.05834065 4.28600869 5.41978307 6.03058341 6.87796211 34.75394956 Ne 0.03863452 5.36502310 5.36230320 -20.01865579 21.81538443 22.05368510 Ne 2.13953839 4.30752004 4.34766119 -5.00074182 5.28325365 -2.63311688 Ne 3.20231144 5.37796463 4.27232959 7.34675736 34.62499613 3.31621499 Ne 3.19692808 4.28295823 5.36470700 5.26616965 -0.65017318 35.44054799 Ne 2.21560615 5.40109577 5.35461314 -7.19685530 27.58657436 26.92692248 Ne 4.33818247 4.27125431 4.29829773 0.38038063 9.94281805 2.32712161 Ne 5.38750586 5.39480125 4.31091458 23.63090330 23.08899536 -2.01664514 Ne 5.35167158 4.31075675 5.40660182 28.97445842 0.22536032 25.97169157 Ne 4.30240767 5.35833603 5.39547881 -2.66908552 26.07979749 23.70741090