32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=511.42150263063826 stress="-5.951354350712263 0.6086031675485998 0.3976509318708906 0.6086031675485998 -6.481622115564948 -1.0885573597774103 0.3976509318708906 -1.0885573597774103 -6.098858377495959" free_energy=511.42150263063826 pbc="F F F" Ne 0.21635187 0.13081362 0.08890864 -21.38422965 -26.12208830 -7.29392673 Ar 1.23387496 1.58501927 0.06603388 33.59251792 -51.99295525 -108.48291810 Ar 1.50693356 0.16501753 1.72580078 44.40676969 -114.52603253 -128.89264889 Ne 0.18883157 1.49955875 1.54313966 -72.05263352 -37.39459642 -18.39546110 Ne 3.13877983 0.33147069 0.19732654 -17.42187961 -34.32216556 -20.68891313 Ar 4.40295338 1.60338854 0.24759167 57.95259117 -39.15399239 -93.98501766 Ne 4.32241574 0.18843096 1.84440938 17.17706735 -42.62635013 -10.35668650 Ne 3.29169807 1.37274060 1.40372794 -60.94251921 6.67848537 20.93328506 Ne 0.03851086 3.02235193 0.28095696 -65.32729071 10.64708421 -56.67183725 Ne 1.35785536 4.70066150 0.48501378 16.34863865 16.50483018 -16.32481500 Ar 1.25346517 2.76772449 1.27715687 116.87583277 83.04711524 44.56386647 Ne 0.11893942 4.22956938 1.33885520 -31.43634173 30.70702132 21.33135054 Ar 3.09573629 3.26512171 0.09566688 -22.33028287 0.73983214 -25.92373640 Ar 4.62528982 4.62033173 0.34809745 23.67497910 24.70604532 -11.36869745 Ne 4.71182891 2.79301824 1.23241985 28.61159329 53.68227457 40.77505782 Ne 3.03682992 4.53313521 1.66278325 -1.04433289 9.96838303 -4.06605446 Ar 0.16911338 0.12365747 2.95588739 -103.83903715 -86.00880528 13.85081594 Ar 1.45297513 1.34681875 2.86894099 33.49164385 115.72511361 61.24880187 Ne 1.68087731 0.17857681 4.55710472 -11.54652771 -28.92950771 42.49725443 Ar 0.12937675 1.10290112 4.59119645 -35.08953440 28.61210212 54.11534966 Ar 2.79640878 0.21456242 3.27913633 53.72467390 -112.23397441 -45.41704853 Ar 4.35263676 1.68492541 2.79248214 188.59511020 -99.89034526 11.22375702 Ar 4.38323780 0.12263099 4.54530481 36.30918992 -21.99513514 24.92486725 Ar 2.95134296 1.62593290 4.34000708 10.12505492 29.34877367 122.04556647 Ar 0.23212867 2.75294705 2.76067717 -80.14358144 58.02188881 66.93237617 Ne 1.91828248 4.41662142 2.87828939 -19.18351962 5.23274919 4.06123991 Ne 1.59692480 2.78353165 4.20072959 -14.54250482 26.22729988 18.80812570 Ne 0.22132337 4.14218423 4.45327160 -2.63363987 5.08467849 4.10219204 Ar 3.24339277 2.71156333 2.91738082 -121.83107797 176.42781850 -28.67363453 Ne 4.60968713 4.68856660 2.49833540 9.98970839 2.59835158 5.72952127 Ne 4.58697928 3.21974847 4.71907192 11.80857163 -6.28354728 6.25275644 Ar 3.30439217 4.63294180 4.28298106 -1.93500956 17.51964843 13.14521166