108 Lattice="6.40253737939303 0.0 0.0 0.0 6.40253737939303 0.0 0.0 0.0 6.40253737939303" Properties=species:S:1:pos:R:3:forces:R:3 energy=7772.211593799141 stress="-119.92379173000758 -0.3941785215826995 -0.9678737916595471 -0.3941785215826995 -120.28795335861469 -1.043029282796041 -0.9678737916595471 -1.043029282796041 -120.54398149945848" free_energy=7772.211593799141 pbc="F F F" Ne 0.00323325 0.03022885 0.02389945 -192.58629115 -206.51334795 -202.22392620 Ne 1.11138624 1.04453000 0.03845544 -144.82413383 152.40028834 -484.07788020 Ne 1.06838524 0.02871905 1.08692164 20.67041963 -497.59445271 -68.26866381 Ne 0.01805763 1.11781204 1.03048955 -410.83618375 -85.52182971 12.15433191 Ne 2.09775236 0.01076727 0.03692414 85.18346571 -422.02021675 -376.64488606 Ne 3.19290593 1.05079684 0.01937907 86.25838971 9.10406179 -521.17030159 Ne 3.17638669 0.00538122 1.05291131 70.09886604 -464.03740656 2.56971047 Ne 2.16293328 1.06109321 1.03737862 -131.57630967 79.07276423 238.68134347 Ne 4.28819994 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484.81114977 258.87431757 147.45591519 Ne 4.21878035 5.32170931 1.05298711 139.95136746 381.81728653 193.79566938 Ne 0.02779547 0.03445104 2.09337588 -431.25792583 -351.71689974 64.45303703 Ne 1.04687109 1.02509329 2.10103789 224.43994855 284.31384880 84.21951124 Ne 1.06344666 0.03255851 3.19803117 16.99316370 -366.47762906 32.48348971 Ne 0.00662005 1.10479222 3.17724225 -399.93931019 -102.42890796 69.78301142 Ne 2.15253003 0.01980930 2.13784641 -21.77025943 -386.79319935 17.87027701 Ne 3.21063410 1.06017365 2.09569407 -113.27735097 113.72589075 210.64021883 Ne 3.20793204 0.04061358 3.22146389 86.69656424 -443.61653322 -81.64733919 Ne 2.16516569 1.05561421 3.21507243 -149.77052384 99.46287319 -141.63424861 Ne 4.22764313 0.04115873 2.12241162 122.98217478 -443.87210318 80.05387373 Ne 5.30404822 1.09357426 2.16807023 411.58103720 -77.95311174 -19.49311728 Ne 5.36743226 0.03492487 3.19701814 223.02036725 -321.19084110 -13.89203838 Ne 4.28143266 1.06744463 3.27725376 18.52685799 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1.02914260 0.04206819 5.36713406 122.68737376 -389.39903910 286.33689483 Ne 0.03962091 1.08361104 5.32696520 -498.76993623 -34.73138766 400.10342461 Ne 2.17758461 0.01797608 4.24866814 -154.09845277 -381.84682799 139.74495938 Ne 3.19612935 1.09505404 4.24697644 69.57121833 -95.41334123 173.64537322 Ne 3.23810850 0.01931260 5.30964071 -120.00942895 -261.02354277 329.51798461 Ne 2.09200477 1.08488415 5.36301691 107.02738538 -155.20575210 355.59694019 Ne 4.27263899 0.03044266 4.30009896 45.30321743 -452.64605873 -94.75680027 Ne 5.34825010 1.06608488 4.26196850 410.39066316 92.37830521 40.07786315 Ne 5.37210133 0.02411458 5.29583410 208.43524262 -213.07172160 229.27464897 Ne 4.27770531 1.06617388 5.33741968 26.52651351 58.77670619 379.50255520 Ne 0.02144713 2.11443216 4.29258158 -474.98679102 70.48285664 -68.12526614 Ne 1.10305162 3.16002621 4.22583457 -53.08928117 93.98215898 158.16790621 Ne 1.05396353 2.09431274 5.29382547 110.35901281 308.75601969 512.72014347 Ne 0.03288775 3.24373290 5.31497877 -266.11002595 -104.46892581 288.59318651 Ne 2.14543874 2.10049584 4.26046175 -49.76819555 131.59055106 7.04286612 Ne 3.23026808 3.20901967 4.29264307 -111.14231198 -74.82630363 -170.06979649 Ne 3.15896890 2.07305703 5.31097238 92.60685044 134.43885072 431.09394893 Ne 2.15994788 3.23330161 5.35269144 -113.51820711 -167.11868571 332.17642962 Ne 4.30295949 2.17237556 4.31098771 -163.29100580 -173.59684692 -128.55481217 Ne 5.29748659 3.19648490 4.22811122 449.96286449 158.49918901 193.80987584 Ne 5.30761319 2.16716351 5.31273812 385.73327469 -22.02061091 372.37060819 Ne 4.21793024 3.19085579 5.35024241 74.74796451 68.14376067 440.55774067 Ne 0.03546786 4.29504145 4.30255789 -454.48169476 -106.09873799 -215.76551601 Ne 1.06964666 5.29308963 4.28249807 78.34855007 544.84793691 -89.60368133 Ne 1.07704212 4.27604820 5.29444925 85.88578837 -69.56091012 490.78412492 Ne 0.00747342 5.33922369 5.32188842 -202.33003567 233.14430621 244.28069779 Ne 2.13411871 4.23790287 4.25018415 92.29662448 27.57714764 0.80210108 Ne 3.20684502 5.34116113 4.29652303 -13.01642971 371.92414975 -107.31379461 Ne 3.17121116 4.26063461 5.30365114 114.37250481 109.65842746 465.14140049 Ne 2.15169522 5.32413851 5.32854087 -47.85534269 292.24720995 286.56714585 Ne 4.23829246 4.29489156 4.28787966 158.28615215 -50.48748735 -71.56204324 Ne 5.36400010 5.37241473 4.26251055 246.00251904 171.61822227 -26.20758002 Ne 5.35511088 4.24452802 5.34015258 207.26120244 0.80739875 202.56074206 Ne 4.30782454 5.37160702 5.31795576 -16.99269812 223.61059501 292.39320728