32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=171092.54237134272 stress="-9.440283195628915 2.7761441504531907 -3.2582748706854137 2.7761441504531907 -8.982405067532927 2.2578172807958707 -3.2582748706854137 2.2578172807958707 -10.00375000632781" free_energy=171092.54237134272 pbc="F F F" Mc 21.07903418 21.02612317 21.06723862 -3811.57654525 -2672.05189745 -3894.68853196 Mc 22.16299050 22.72540225 20.86809476 117321.84099599 -68018.14745419 -1642.98314134 Mc 22.11314916 20.88331577 22.73180161 5135.29482774 -10634.17486459 -7922.37292538 Mc 20.90897082 22.40101021 22.87090356 -8377.61668302 4726.65621399 -13676.56237350 Mc 24.37470839 20.88343922 21.06025549 -5579.05437518 -1675.11697851 -8234.58416938 Mc 25.36322116 22.82274776 20.99302979 2886.86300161 -5160.76778928 -8680.80121325 Mc 25.36774368 20.98414674 22.62061016 8505.71992732 -1227.63188033 5212.78424187 Mc 23.99956614 22.66146818 22.67999144 -23169.60404288 -18640.34410241 -11424.27991262 Mc 20.85932819 23.49445518 20.87616492 -117211.71019241 69429.74484723 24.42995783 Mc 22.96700393 25.64049269 20.97926857 -97591.12462105 110285.71695459 -124003.81905527 Mc 22.15544551 24.33975492 22.77888534 3701.96824789 -17093.95374578 -3086.81890409 Mc 21.09751243 25.74437863 23.03371829 -11602.78158250 13528.78140858 367.79399368 Mc 23.61167328 24.21778541 21.00298758 36600.57552812 -96882.25655494 -20147.82560758 Mc 25.54385414 25.48830846 21.27138914 2134.14518137 3380.93043592 -2750.40133239 Mc 25.15146018 23.94343537 22.45112413 15779.92662651 22803.61129254 -1349.84225145 Mc 23.62300969 25.33557743 22.30552130 66879.02719734 -3752.28506307 139517.62650848 Mc 21.11047581 21.25932425 24.31354921 -24131.41764890 -27465.43218358 -441.28643182 Mc 22.53976511 22.24023125 23.98299828 11239.12119845 13053.07580342 -7223.57937749 Mc 22.26273501 20.81571533 25.69767413 5661.68791165 -3793.24360580 8066.01774055 Mc 21.23426164 22.73293222 25.28414670 21636.77176273 -142051.19968060 175373.62624628 Mc 23.81886667 20.74941322 23.86869826 1510.46034656 -5461.74449937 2045.96649981 Mc 25.37942509 22.73648540 23.86380061 59931.20262261 -50613.42767811 -7733.55513332 Mc 25.60261354 20.75344815 25.17789557 938.40258582 -440.43649970 781.10825551 Mc 23.86043981 22.42048306 25.23492255 1290.78194353 -19346.85087982 24733.63678239 Mc 21.01227020 23.71097290 24.22664892 -45725.39063070 150422.50678495 -159615.44865944 Mc 22.47819939 25.69456118 24.55216124 -82352.24178033 27355.18674798 -113561.48151571 Mc 22.44049279 24.08260554 25.32881560 29762.58824183 -22167.18444176 9163.51587327 Mc 21.22999743 25.25983573 25.63788271 -38528.54630786 12299.96575191 23351.56979298 Mc 24.20909371 23.76774299 24.22141694 -88905.83733348 58528.22343329 -37504.79287239 Mc 25.63228940 25.42835680 24.11765702 1605.01513584 4823.73140893 -2573.42590065 Mc 25.36398386 23.91232305 25.32205322 47250.76974236 8366.09432465 53893.04359298 Mc 23.61008587 25.62712855 25.55043987 107214.73871829 -1907.97560867 92937.42982340