case,dump_step,time_fs,total_energy_eV,potential_energy_eV,kinetic_energy_eV,temperature_K,pressure_kbar,volume_A3
nve40,0,0.0,-339.488709816798,-341.93173534398,2.44301777193414,300.0,19.509085,1291.0168758355633
nve40,1,0.5,-339.488709816798,-341.934075524036,2.44536516301008,300.28825,19.508116,1291.0168758355633
nve40,2,1.0,-339.488723422496,-341.936728635146,2.44800902224544,300.61292,19.508528,1291.0168758355633
nve40,3,1.5,-339.488723422496,-341.93962664882,2.450910029173,300.96915,19.510004,1291.0168758355633
nve40,4,2.0,-339.488723422496,-341.94274235366197,2.45402042779278,301.35111,19.511101,1291.0168758355633
nve40,5,2.5,-339.488723422496,-341.946007721182,2.4572822578313,301.75165,19.512461,1291.0168758355633
nve40,6,3.0,-339.488737028194,-341.949368328588,2.46062912348232,302.16265,19.513315,1291.0168758355633
nve40,7,3.5,-339.488737028194,-341.952728935994,2.46399095540114,302.57547,19.51604,1291.0168758355633
nve40,8,4.0,-339.488737028194,-341.956035120608,2.46729564338836,302.98128,19.520362,1291.0168758355633
nve40,9,4.5,-339.48875063389204,-341.95921885394,2.4704682200479997,303.37088,19.525815,1291.0168758355633
nve40,10,5.0,-339.48875063389204,-341.962184896104,2.4734329016422003,303.73494,19.533013,1291.0168758355633
nve40,11,5.5,-339.48876423959,-341.96486521861004,2.47611404049008,304.06419,19.541336,1291.0168758355633
nve40,12,6.0,-339.48876423959,-341.967205398666,2.47843721342358,304.34947,19.550198,1291.0168758355633
nve40,13,6.5,-339.48876423959,-341.969096590688,2.48033126264216,304.58205,19.559203,1291.0168758355633
nve40,14,7.0,-339.48876423959,-341.970497977582,2.4817285678267598,304.75364,19.567741,1291.0168758355633
nve40,15,7.5,-339.488777845288,-341.971341530858,2.48256654276658,304.85653,19.576446,1291.0168758355633
nve40,16,8.0,-339.488777845288,-341.971572827724,2.48278967621378,304.88394,19.584626,1291.0168758355633
nve40,17,8.5,-339.488777845288,-341.97112383969,2.48235021216838,304.82998,19.592262,1291.0168758355633
nve40,18,9.0,-339.488777845288,-341.969980961058,2.48120570085262,304.68943,19.598512,1291.0168758355633
nve40,19,9.5,-339.488777845288,-341.968103374734,2.47932063139472,304.45794,19.603115,1291.0168758355633
nve40,20,10.0,-339.488777845288,-341.965450263624,2.47666820056962,304.13224,19.606309,1291.0168758355633
nve40,21,10.5,-339.488777845288,-341.96200802203003,2.47322990462804,303.71001,19.607001,1291.0168758355633
nve40,22,11.0,-339.488777845288,-341.95777664995205,2.46899431478366,303.18988,19.605758,1291.0168758355633
nve40,23,11.5,-339.488777845288,-341.95274254169203,2.46396047863762,302.57173,19.599643,1291.0168758355633
nve40,24,12.0,-339.488777845288,-341.946919302948,2.45813574326684,301.85647,19.590645,1291.0168758355633
nve40,25,12.5,-339.488777845288,-341.94030693372,2.45153004083086,301.0453,19.576233,1291.0168758355633
nve40,26,13.0,-339.488777845288,-341.93293264540404,2.44415874576842,300.14011,19.558976,1291.0168758355633
nve40,27,13.5,-339.488777845288,-341.924823649396,2.43604253874048,299.14345,19.539727,1291.0168758355633
nve40,28,14.0,-339.488777845288,-341.915979945696,2.42720713451626,298.05846,19.518164,1291.0168758355633
nve40,29,14.5,-339.488777845288,-341.906455957096,2.4176842343721003,296.88905,19.493561,1291.0168758355633
nve40,30,15.0,-339.48876423959,-341.896278894992,2.4075107097495803,295.63977,19.465974,1291.0168758355633
nve40,31,15.5,-339.48876423959,-341.885489576478,2.39672819408458,294.31567,19.435055,1291.0168758355633
nve40,32,16.0,-339.48876423959,-341.874142424346,2.3853817222374802,292.92234,19.400666,1291.0168758355633
nve40,33,16.5,-339.48876423959,-341.86227825569,2.37351823386638,291.46553,19.362952,1291.0168758355633
nve40,34,17.0,-339.48876423959,-341.849937887604,2.36118602919918,289.95114,19.322122,1291.0168758355633
nve40,35,17.5,-339.48875063389204,-341.837189348578,2.34843544931848,288.38538,19.278374,1291.0168758355633
nve40,36,18.0,-339.48875063389204,-341.824073455706,2.3353180598197003,286.77458,19.230674,1291.0168758355633
nve40,37,18.5,-339.48875063389204,-341.81063102608204,2.3218837936145,285.12487,19.179989,1291.0168758355633
nve40,38,19.0,-339.48875063389204,-341.796930088196,2.30818203938662,283.4423,19.127403,1291.0168758355633
nve40,39,19.5,-339.488737028194,-341.783011459142,2.2942634103326203,281.73311,19.072238,1291.0168758355633
nve80,0,0.0,-339.488709816798,-341.93173534398,2.44301777193414,300.0,19.509085,1291.0168758355633
nve80,1,0.5,-339.488709816798,-341.934075524036,2.44536516301008,300.28825,19.508116,1291.0168758355633
nve80,2,1.0,-339.488723422496,-341.936728635146,2.44800902224544,300.61292,19.508528,1291.0168758355633
nve80,3,1.5,-339.488723422496,-341.93962664882,2.450910029173,300.96915,19.510004,1291.0168758355633
nve80,4,2.0,-339.488723422496,-341.94274235366197,2.45402042779278,301.35111,19.511101,1291.0168758355633
nve80,5,2.5,-339.488723422496,-341.946007721182,2.4572822578313,301.75165,19.512461,1291.0168758355633
nve80,6,3.0,-339.488737028194,-341.949368328588,2.46062912348232,302.16265,19.513315,1291.0168758355633
nve80,7,3.5,-339.488737028194,-341.952728935994,2.46399095540114,302.57547,19.51604,1291.0168758355633
nve80,8,4.0,-339.488737028194,-341.956035120608,2.46729564338836,302.98128,19.520362,1291.0168758355633
nve80,9,4.5,-339.48875063389204,-341.95921885394,2.4704682200479997,303.37088,19.525815,1291.0168758355633
nve80,10,5.0,-339.48875063389204,-341.962184896104,2.4734329016422003,303.73494,19.533013,1291.0168758355633
nve80,11,5.5,-339.48876423959,-341.96486521861004,2.47611404049008,304.06419,19.541336,1291.0168758355633
nve80,12,6.0,-339.48876423959,-341.967205398666,2.47843721342358,304.34947,19.550198,1291.0168758355633
nve80,13,6.5,-339.48876423959,-341.969096590688,2.48033126264216,304.58205,19.559203,1291.0168758355633
nve80,14,7.0,-339.48876423959,-341.970497977582,2.4817285678267598,304.75364,19.567741,1291.0168758355633
nve80,15,7.5,-339.488777845288,-341.971341530858,2.48256654276658,304.85653,19.576446,1291.0168758355633
nve80,16,8.0,-339.488777845288,-341.971572827724,2.48278967621378,304.88394,19.584626,1291.0168758355633
nve80,17,8.5,-339.488777845288,-341.97112383969,2.48235021216838,304.82998,19.592262,1291.0168758355633
nve80,18,9.0,-339.488777845288,-341.969980961058,2.48120570085262,304.68943,19.598512,1291.0168758355633
nve80,19,9.5,-339.488777845288,-341.968103374734,2.47932063139472,304.45794,19.603115,1291.0168758355633
nve80,20,10.0,-339.488777845288,-341.965450263624,2.47666820056962,304.13224,19.606309,1291.0168758355633
nve80,21,10.5,-339.488777845288,-341.96200802203003,2.47322990462804,303.71001,19.607001,1291.0168758355633
nve80,22,11.0,-339.488777845288,-341.95777664995205,2.46899431478366,303.18988,19.605758,1291.0168758355633
nve80,23,11.5,-339.488777845288,-341.95274254169203,2.46396047863762,302.57173,19.599643,1291.0168758355633
nve80,24,12.0,-339.488777845288,-341.946919302948,2.45813574326684,301.85647,19.590645,1291.0168758355633
nve80,25,12.5,-339.488777845288,-341.94030693372,2.45153004083086,301.0453,19.576233,1291.0168758355633
nve80,26,13.0,-339.488777845288,-341.93293264540404,2.44415874576842,300.14011,19.558976,1291.0168758355633
nve80,27,13.5,-339.488777845288,-341.924823649396,2.43604253874048,299.14345,19.539727,1291.0168758355633
nve80,28,14.0,-339.488777845288,-341.915979945696,2.42720713451626,298.05846,19.518164,1291.0168758355633
nve80,29,14.5,-339.488777845288,-341.906455957096,2.4176842343721003,296.88905,19.493561,1291.0168758355633
nve80,30,15.0,-339.48876423959,-341.896278894992,2.4075107097495803,295.63977,19.465974,1291.0168758355633
nve80,31,15.5,-339.48876423959,-341.885489576478,2.39672819408458,294.31567,19.435055,1291.0168758355633
nve80,32,16.0,-339.48876423959,-341.874142424346,2.3853817222374802,292.92234,19.400666,1291.0168758355633
nve80,33,16.5,-339.48876423959,-341.86227825569,2.37351823386638,291.46553,19.362952,1291.0168758355633
nve80,34,17.0,-339.48876423959,-341.849937887604,2.36118602919918,289.95114,19.322122,1291.0168758355633
nve80,35,17.5,-339.48875063389204,-341.837189348578,2.34843544931848,288.38538,19.278374,1291.0168758355633
nve80,36,18.0,-339.48875063389204,-341.824073455706,2.3353180598197003,286.77458,19.230674,1291.0168758355633
nve80,37,18.5,-339.48875063389204,-341.81063102608204,2.3218837936145,285.12487,19.179989,1291.0168758355633
nve80,38,19.0,-339.48875063389204,-341.796930088196,2.30818203938662,283.4423,19.127403,1291.0168758355633
nve80,39,19.5,-339.488737028194,-341.783011459142,2.2942634103326203,281.73311,19.072238,1291.0168758355633
nve80,40,20.0,-339.488737028194,-341.768915956014,2.28017947204792,280.00362,19.013661,1291.0168758355633
nve80,41,20.5,-339.488737028194,-341.754711607302,2.26598219829888,278.26022,18.952514,1291.0168758355633
nve80,42,21.0,-339.488737028194,-341.740452835798,2.25172220228206,276.50909,18.890085,1291.0168758355633
nve80,43,21.5,-339.488723422496,-341.726180458596,2.23744792028234,274.75623,18.82651,1291.0168758355633
nve80,44,22.0,-339.488723422496,-341.71193529279003,2.22320751647064,273.00753,18.761909,1291.0168758355633
nve80,45,22.5,-339.488723422496,-341.697771761172,2.2090483386760003,271.2688,18.694837,1291.0168758355633
nve80,46,23.0,-339.488723422496,-341.68373068083605,2.1950167823286,269.54573,18.628966,1291.0168758355633
nve80,47,23.5,-339.488723422496,-341.669866474574,2.1811546169213,267.84348,18.562847,1291.0168758355633
nve80,48,24.0,-339.488709816798,-341.65621995948004,2.16750048263642,266.16676,18.496814,1291.0168758355633
nve80,49,24.5,-339.488709816798,-341.642804741252,2.1540915230295004,264.52016,18.431055,1291.0168758355633
nve80,50,25.0,-339.488709816798,-341.629675242682,2.1409633850293,262.90803,18.366419,1291.0168758355633
nve80,51,25.5,-339.488709816798,-341.61685867516604,2.1281485862540404,261.33439,18.303048,1291.0168758355633
nve80,52,26.0,-339.488709816798,-341.6043822501,2.1156770592393204,259.8029,18.240723,1291.0168758355633
nve80,53,26.5,-339.488709816798,-341.592286784578,2.1035760153811403,258.3169,18.179931,1291.0168758355633
nve80,54,27.0,-339.488709816798,-341.5805722786,2.09186967282194,256.87938,18.120108,1291.0168758355633
nve80,55,27.5,-339.48869621110003,-341.56927954926,2.08057816799476,255.49279,18.061259,1291.0168758355633
nve80,56,28.0,-339.48869621110003,-341.558422202256,2.0697167392813602,254.15902,18.004793,1291.0168758355633
nve80,57,28.5,-339.48869621110003,-341.548000237588,2.05929667941108,252.87944,17.950416,1291.0168758355633
nve80,58,29.0,-339.48869621110003,-341.538027260954,2.04932547151782,251.65499,17.898887,1291.0168758355633
nve80,59,29.5,-339.48869621110003,-341.52850327235404,2.0398070612540002,250.48615,17.85052,1291.0168758355633
nve80,60,30.0,-339.48869621110003,-341.519441877486,2.03074076833472,249.37281,17.804703,1291.0168758355633
nve80,61,30.5,-339.488709816798,-341.510829470652,2.0221203341389002,248.31424,17.760729,1291.0168758355633
nve80,62,31.0,-339.488709816798,-341.50263884045603,2.01393405776626,247.30896,17.718171,1291.0168758355633
nve80,63,31.5,-339.488709816798,-341.49486998689804,2.00616602055014,246.35506,17.679127,1291.0168758355633
nve80,64,32.0,-339.488709816798,-341.48750930427997,1.99879703845636,245.45015,17.643705,1291.0168758355633
nve80,65,32.5,-339.488709816798,-341.480515975508,1.9918035736273798,244.59137,17.61135,1291.0168758355633
nve80,66,33.0,-339.488709816798,-341.473876394884,1.98515827861022,243.77534,17.580969,1291.0168758355633
nve80,67,33.5,-339.488709816798,-341.467549745314,1.97882958818552,242.99817,17.553411,1291.0168758355633
nve80,68,34.0,-339.488723422496,-341.461495209704,1.9727811751396203,242.25543,17.529261,1291.0168758355633
nve80,69,34.5,-339.488723422496,-341.455699182356,1.9669737190053,241.54229,17.508343,1291.0168758355633
nve80,70,35.0,-339.488723422496,-341.45009363478,1.9613662666315799,240.8537,17.491226,1291.0168758355633
nve80,71,35.5,-339.488723422496,-341.444637749882,1.95591650429768,240.18448,17.477742,1291.0168758355633
nve80,72,36.0,-339.488723422496,-341.439317921964,1.95058211828282,239.52942,17.467148,1291.0168758355633
nve80,73,36.5,-339.488737028194,-341.434052516838,1.94532120303716,238.88339,17.460142,1291.0168758355633
nve80,74,37.0,-339.488737028194,-341.428827928806,1.94009185301086,238.24123,17.455562,1291.0168758355633
nve80,75,37.5,-339.488737028194,-341.423589735076,1.9348531150529398,237.59792,17.452564,1291.0168758355633
nve80,76,38.0,-339.488737028194,-341.418310724252,1.9295675734939,236.94886,17.452731,1291.0168758355633
nve80,77,38.5,-339.48875063389204,-341.41295007924,1.92420230254458,236.29,17.455238,1291.0168758355633
nve80,78,39.0,-339.48875063389204,-341.407480588644,1.91872981869502,235.61798,17.459753,1291.0168758355633
nve80,79,39.5,-339.48875063389204,-341.401875041068,1.9131301215691598,234.93035,17.466412,1291.0168758355633
nvt80,0,0.0,-339.488709816798,-341.93173534398,2.44301777193414,300.0,19.509085,1291.0168758355633
nvt80,1,0.5,-339.488723422496,-341.934075524036,2.44536475483914,300.2882,19.508116,1291.0168758355633
nvt80,2,1.0,-339.488723422496,-341.936728635146,2.44800534870698,300.61246,19.508525,1291.0168758355633
nvt80,3,1.5,-339.488737028194,-341.93962664882,2.45089669558896,300.96751,19.509993,1291.0168758355633
nvt80,4,2.0,-339.48876423959,-341.94274235366197,2.45398750200362,301.34707,19.511074,1291.0168758355633
nvt80,5,2.5,-339.488791450986,-341.946007721182,2.45721599808204,301.74352,19.512406,1291.0168758355633
nvt80,6,3.0,-339.488845873778,-341.949368328588,2.46051184236556,302.14825,19.513217,1291.0168758355633
nvt80,7,3.5,-339.488927507966,-341.952728935994,2.46380061168612,302.55211,19.515881,1291.0168758355633
nvt80,8,4.0,-339.48903635355003,-341.956035120608,2.46700652230586,302.94578,19.520118,1291.0168758355633
nvt80,9,4.5,-339.48917241053,-341.95921885394,2.4700505251194,303.31958,19.525462,1291.0168758355633
nvt80,10,5.0,-339.489335678906,-341.962184896104,2.47285302679344,303.66374,19.532521,1291.0168758355633
nvt80,11,5.5,-339.489539764376,-341.964878824308,2.4753356585075,303.9686,19.54067,1291.0168758355633
nvt80,12,6.0,-339.48979827263804,-341.96721900436404,2.47742086778298,304.22466,19.549323,1291.0168758355633
nvt80,13,6.5,-339.490083992296,-341.96912380208397,2.4790355920216203,304.42294,19.558081,1291.0168758355633
nvt80,14,7.0,-339.490424134746,-341.970538794676,2.48011071427758,304.55497,19.56633,1291.0168758355633
nvt80,15,7.5,-339.49080509429,-341.971382347952,2.48058324016912,304.61299,19.574701,1291.0168758355633
nvt80,16,8.0,-339.491240476626,-341.971627250516,2.48039806661934,304.59026,19.582503,1291.0168758355633
nvt80,17,8.5,-339.491716676056,-341.97121907957603,2.4795087981980597,304.48105,19.589719,1291.0168758355633
nvt80,18,9.0,-339.49223369258004,-341.970117018038,2.4778751620392,304.28045,19.595505,1291.0168758355633
nvt80,19,9.5,-339.49280513189603,-341.96826664311,2.47546545686642,303.98453,19.599601,1291.0168758355633
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nve-restart80,78,39.0,-339.48875063389204,-341.407480588644,1.91872968263804,235.61798,17.459753,1291.0168758355633
nve-restart80,79,39.5,-339.48875063389204,-341.401875041068,1.9131301215691598,234.93034,17.466412,1291.0168758355633