500 Lattice="25.345918314415616 0.0 0.0 0.0 25.345918314415616 0.0 0.0 0.0 25.345918314415616" Properties=species:S:1:pos:R:3:forces:R:3 energy=-16.911271175782115 stress="-8.404908594500897e-05 4.5073902517373966e-05 -3.631601879460125e-05 4.5073902517373966e-05 -7.69726249101896e-05 -8.69821401117323e-06 -3.631601879460125e-05 -8.69821401117323e-06 -0.00012653734585915444" free_energy=-16.911271175782115 pbc="F F F" Ne 0.06778486 0.03473834 0.04050748 0.00556574 0.00493813 0.00594427 Ne 2.58334390 2.53198069 0.01240853 0.00084441 0.00088490 0.01095516 Ne 2.48891477 0.04396773 2.49750309 0.00392941 0.00888700 0.00109442 Ar 0.09103146 2.48719046 2.57738536 -0.01460544 0.01076111 -0.02557459 Ne 5.02450783 0.04159284 0.04068611 -0.00043154 0.00849303 0.00769176 Ne 7.63866795 2.51996888 0.02263110 -0.00102749 0.00338637 0.01134731 Ne 7.55319925 0.04169191 2.57044901 0.00248598 0.01089904 0.00190124 Ar 5.06806210 2.54976044 2.54975914 0.02085269 -0.05619968 -0.01009852 Ne 10.12385686 0.01834514 0.04647111 0.00023099 0.00933151 0.00913216 Ne 12.61912088 2.60041131 0.04763027 0.00141016 -0.00227102 0.00869348 Ar 12.66833688 0.07052496 2.55759177 0.03946124 -0.00273374 -0.02189953 Ar 10.13151081 2.58587349 2.58271227 -0.04825395 -0.00398148 0.00249589 Ne 15.20158362 0.04967379 0.06782860 0.00095584 0.00865001 0.00802297 Ne 17.80447121 2.56649682 0.01895482 -0.00180858 0.00173302 0.00892630 Ne 17.68697010 0.04189862 2.53107427 0.00033616 0.01170348 0.00001715 Ne 15.20972596 2.53760215 2.53078809 0.00049702 0.00301321 0.00240049 Ar 20.28928422 0.00613809 0.04966432 -0.04137327 -0.03688964 -0.03307227 Ar 22.76997059 2.53082432 0.03301823 0.05745269 0.00512550 -0.04161098 Ar 22.83378811 0.00473108 2.57359573 0.02077470 -0.03433439 0.02096363 Ar 20.23167079 2.51838220 2.49992640 -0.04184643 -0.01952035 0.05424993 Ne 0.03786523 5.14906628 0.02809626 0.00822404 -0.00138156 0.00820239 Ne 2.53623021 7.66315355 0.00642880 0.00031639 -0.00042062 0.01282663 Ar 2.51159373 5.02196113 2.55373624 -0.00784324 0.02721117 0.00193859 Ar 0.01714434 7.61071802 2.53701799 -0.03579336 -0.02148620 -0.03495544 Ar 5.02248257 5.15821952 0.02625342 0.00619861 -0.00314651 -0.01340209 Ar 7.62339586 7.64152647 0.03732929 -0.01087722 0.01805800 0.01594187 Ne 7.59297029 5.07523489 2.49347260 -0.00027429 0.00037322 0.00117419 Ne 5.09474652 7.65347837 2.54186255 -0.00329985 -0.00051669 0.00417777 Ar 10.16081537 5.06041461 0.03796893 -0.01785939 0.01171149 -0.03813197 Ne 12.67770774 7.68272744 0.00981506 0.00046580 -0.00286900 0.01120536 Ar 12.64795358 5.06099872 2.49254837 0.02814188 0.02517271 0.05100822 Ne 10.13928205 7.54282223 2.55442294 -0.00057232 0.00151083 0.00193221 Ar 15.17795987 5.05514100 0.02196047 -0.01119396 -0.01552077 -0.02376063 Ar 17.68679710 7.60313674 0.02055143 0.00760248 -0.01028408 -0.04492058 Ar 17.73699967 5.08806496 2.52104860 -0.02615733 -0.01523682 0.03185303 Ne 15.23487601 7.60956395 2.48162957 -0.00112295 -0.00107306 0.00332010 Ar 20.28041663 5.04718461 0.01644391 -0.01411867 0.02054191 -0.05693434 Ne 22.81930843 7.60382045 0.02358665 -0.00994791 -0.00011507 0.00877356 Ar 22.79220303 5.10026630 2.55402634 0.05200707 0.01800825 0.01025476 Ar 20.28359064 7.65165539 2.50520070 0.01564380 -0.00883786 0.04993886 Ne 0.08757700 10.09532081 0.00439966 0.00699898 0.00034554 0.00823085 Ne 2.51936952 12.65434049 0.01980868 0.00304305 0.00102395 0.01036155 Ar 2.51076233 10.18700893 2.51577585 0.04828306 -0.03393800 -0.05996952 Ar 0.04418591 12.65928111 2.51045530 -0.02840057 0.03340412 -0.04131442 Ne 5.10985235 10.20460613 0.02673953 -0.00028224 -0.00149319 0.01152397 Ar 7.57701175 12.70794625 0.02503545 0.03623545 -0.00675944 -0.01134031 Ne 7.62442954 10.16332662 2.48384789 -0.00198067 0.00116122 0.00478858 Ar 5.09318349 12.70124107 2.51119258 -0.00107410 -0.00964392 0.01839913 Ar 10.18613150 10.20754086 0.03091856 0.02580640 -0.00950466 0.01634210 Ne 12.62412412 12.59677822 0.03311277 0.00344610 0.00319795 0.01187087 Ne 12.76769703 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5.05348611 15.18784231 0.00924881 -0.04097957 0.02258101 -0.01708192 Ar 7.57886231 17.74206146 0.02612391 0.03138353 -0.02207381 -0.03588600 Ne 7.62344945 15.24900087 2.55304281 -0.00279634 -0.00107817 0.00093145 Ar 5.05077719 17.75524559 2.57320954 -0.02397308 -0.01859040 0.01790317 Ne 10.11776018 15.23861532 0.00765193 -0.00103696 -0.00051995 0.01171937 Ne 12.65744031 17.70588767 0.00055501 -0.00082699 0.00095869 0.01245571 Ar 12.74625690 15.23319167 2.50138330 -0.01319829 -0.03955859 -0.02143660 Ar 10.08674411 17.71257320 2.57088322 0.02560093 -0.02649215 -0.04497444 Ne 15.20317999 15.19950169 0.04697607 0.00161719 -0.00126802 0.00780980 Ne 17.76815692 17.78543616 0.00574777 0.00260879 0.00018895 0.01150733 Ar 17.71705521 15.22321335 2.48270096 -0.01560538 -0.02984495 0.01383162 Ar 15.27822055 17.70900603 2.53034698 -0.00125108 0.06006747 -0.00630439 Ar 20.32372631 15.24870057 0.01421498 -0.03175938 -0.04325040 -0.05404259 Ar 22.81299161 17.69652383 0.00366371 0.03778841 0.04702598 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