[{"formula":"H256O128","reaction":"hydrogen","method":"eSCN(OC20)","natoms":384,"total_time_seconds":73902.739181,"total_steps":374000,"target_steps":2000000,"steps_per_second":5.0607055184,"seconds_per_step":0.1976009069,"timesteps":[999,1999,2999,3999,4999,5999,6999,7999,8999,9999,10999,11999,12999,13999,14999,15999,16999,17999,18998,19998,20998,21998,22998,23998,24998,25998,26998,27998,28998,29998,30998,31998,32998,33998,34998,35998,36998,37998,38998,39998,40997,41997,42997,43997,44997,45997,46997,47997,48997,49997,50997,51997,52997,53997,54997,55997,56997,57997,58997,59997,60997,61997,62997,63997,64997,65997,66997,67997,68997,69997,70997,71997,72996,73996,74996,75996,76996,77996,78996,79996,80996,81996,82996,83996,84996,85996,86996,87996,88996,89996,90996,91996,92996,93996,94996,95996,96996,97996,98996,99996,100996,101996,102996,103996,104996,105996,106996,107996,108995,109995,110995,111995,112995,113995,114995,115995,116995,117995,118995,119995,120995,121995,122995,123995,124995,125995,126995,127995,128995,129995,130995,131995,132995,133995,134995,135995,136995,137995,138995,139995,140995,141995,142995,143994,144994,145994,146994,147994,148994,149994,150994,151994,152994,153994,154993,155993,156993,157993,158993,159993,160993,161993,162993,163993,164993,165993,166993,167993,168993,169993,170993,171993,172993,173993,174993,175993,176993,177993,178993,179993,180993,181993,182993,183993,184993,185993,186993,187993,188993,189993,190993,191992,192992,193992,194992,195992,196992,197992,198992,199992,200992,201992,202992,203992,204992,205992,206992,207992,208992,209992,210992,211992,212992,213992,214992,215992,216992,217992,218992,219992,220992,221992,222992,223992,224992,225992,226992,227991,228991,229991,230991,231991,232991,233991,234991,235991,236991,237991,238991,239991,240991,241991,242991,243991,244991,245991,246991,247991,248991,249991,250991,251991,252991,253991,254991,255991,256991,257991,258991,259991,260991,261991,262990,263990,264990,265989,266989,267989,268989,269989,270989,271989,272989,273989,274989,275989,276989,277989,278989,279989,280989,281989,282989,283989,284989,285989,286989,287989,288989,289989,290989,291989,292989,293989,294989,295989,296989,297989,298989,299989,300989,301988,302988,303988,304988,305988,306988,307988,308988,309988,310988,311988,312988,313988,314988,315988,316988,317988,318988,319988,320988,321988,322988,323988,324988,325988,326988,327988,328988,329988,330988,331988,332987,333987,334987,335987,336987,337987,338987,339987,340987,341987,342987,343987,344987,345987,346987,347987,348987,349987,350987,351987,352987,353987,354987,355987,356987,357987,358987,359987,360987,361987,362987,363986,364986,365986,366986,367986,368986,369986,370986,371986,372986,373986,374986,375986,376986,377986,378986,379986,380986,381986,382986,383986,384986,385986,386986,387986],"nproducts":[0,0,0,0,0,0,0,0,0,0,0,0,0,3,0,4,1,5,5,0,6,3,4,6,5,4,4,3,9,5,4,6,8,4,8,3,4,2,7,2,6,5,3,6,9,8,3,1,6,6,6,4,3,6,3,3,10,9,8,5,13,6,7,3,9,7,7,9,3,9,4,14,6,10,2,7,10,8,7,3,4,7,9,3,3,6,4,5,4,4,4,4,2,7,3,6,4,6,7,4,4,5,8,6,5,3,3,7,8,7,4,6,8,3,6,5,5,3,7,7,8,3,7,6,6,1,4,4,9,4,7,5,2,7,8,4,11,7,7,6,5,5,8,9,6,8,4,4,8,5,5,4,3,7,4,10,5,6,6,6,3,6,8,5,7,4,7,8,5,6,5,4,6,5,5,6,3,6,6,6,8,10,6,9,10,9,5,7,6,3,4,9,4,1,4,8,4,6,6,5,8,4,6,3,7,5,3,2,6,4,7,5,3,6,10,4,3,4,2,5,6,9,6,7,4,4,3,10,4,7,6,4,5,6,8,5,5,7,5,6,7,2,9,5,9,5,6,2,7,8,8,6,8,4,9,12,5,5,3,7,2,7,7,3,7,4,5,9,7,12,4,3,3,5,11,5,7,10,5,9,6,6,9,6,9,11,9,3,4,7,4,10,6,7,10,1,4,8,6,6,6,6,7,6,10,10,2,7,4,7,5,5,7,7,7,5,8,8,7,6,9,6,6,5,7,5,6,6,8,7,4,8,5,6,8,6,2,7,10,6,5,8,7,4,5,8,8,5,6,6,3,4,7,10,9,6,7,8,7,8,6,9,10,6,8,6,6,6,4,3,7,5,4,4,8,5,6,6,6,5,8,2,8,10,8,9,6,6],"temperatures":[335.5896836336,330.9199579184,321.5005619837,282.674344004,290.4360395762,294.6137661354,334.6355915411,383.0997053277,347.1463951893,368.7166948044,314.5904778388,360.8254544042,368.3190124907,327.3928090672,316.5687778381,327.1375650684,369.9284052155,346.5249016113,389.986471515,414.7092463414,361.3720335927,383.5510279027,373.8837599601,420.2701266793,365.1871695099,373.4094975637,382.2344959673,382.8428505896,370.9225825935,419.0177895498,447.8567321088,430.3071377304,434.4559151279,451.3773833981,424.5568961991,395.9870059188,421.8617142404,434.8764969328,460.2180255201,512.7105094809,443.2470653417,462.5055637614,507.7677873033,512.3195908493,449.81690195,505.0787673315,539.4395754859,503.4841218599,540.100714732,435.5701429923,475.8095674161,551.7260958276,474.6736935499,507.8694647912,560.9595894978,497.2126719877,511.5389013135,554.372833425,531.182334646,525.6611015704,511.4511379745,552.7342163962,579.7341896659,518.6311222617,590.8328520161,540.3038420056,590.6362405806,556.3633020004,594.6482536655,570.2781187508,594.0968387158,584.0262721727,602.1468751836,590.632709701,609.3676310876,599.2980421518,614.2466105027,611.2282235878,621.7208149564,619.8767306845,626.8039168499,631.0216008422,634.1281238796,640.3129180665,640.0003707705,652.0483909208,644.9971050869,661.2089374258,651.9221975826,668.6903992227,659.0044109445,678.0124030194,668.434233405,684.2698265062,678.8433007029,690.5826965238,686.2290992565,699.5579937027,692.9397464367,709.2520624048,699.5257665177,718.1316380332,711.1028607315,723.5418793758,718.1313379513,731.3159675359,726.5804331253,742.2312882031,741.9430208187,742.9955273004,749.0294259835,752.0038149977,753.3935457832,763.1724819461,758.5655209488,773.5640949963,767.2868352618,782.2937534474,773.6201476782,790.0939972599,781.5061920056,795.812493003,791.8779724577,806.0061546,799.7964277033,813.693757447,806.5276997737,821.5989884473,815.1176596491,830.5435179119,821.0028674937,838.3890895794,832.1944580112,846.4363102131,839.4636736576,854.6866411657,844.6806866677,860.5449669183,856.0394969613,867.9238571587,864.0952119146,877.2473111861,872.4524479482,892.0090099164,877.0965833359,895.7101036664,888.1425886277,898.2481001185,900.4021747747,902.9377168723,913.726944162,909.3467731942,922.5253390799,913.9086594516,931.1956560059,925.6164898965,933.729402629,939.6497913126,938.7158134625,950.1902848863,943.9659443274,962.7788871658,948.3175492172,971.8465883352,955.1331552114,982.2443887472,962.3068843409,989.5077298063,967.5630186702,1000.3110062174,972.8631222423,1010.739180757,983.7017325383,1018.8556153878,989.2430882909,1024.2948230094,999.6436450976,1031.9536601257,1009.302919993,1039.2573516357,1019.0556719579,1042.4155762459,1031.9742657464,1049.0829335323,1041.478578112,1054.1917403285,1051.6230755563,1063.0820606936,1059.0184721902,1068.7934835667,1069.4571023102,1077.5479329062,1077.8826770879,1081.6921332987,1090.9481401833,1084.5486543991,1105.8887827917,1086.7347547095,1115.8901637319,1090.3227151563,1128.3255864912,1095.8630950838,1140.3527970675,1100.8307366273,1150.8824115274,1104.3781335196,1164.3788842536,1107.3100049125,1174.6156995978,1116.7174807263,1184.8585702861,1121.1719208837,1193.7803153829,1129.5359933771,1203.5962051559,1136.9930478813,1210.888936912,1144.4987499518,1217.3680232361,1156.210714156,1224.9518065081,1165.0274008217,1233.3461251192,1174.2890120742,1239.1046379063,1183.8274375108,1243.5416240934,1198.2558495656,1244.9993038108,1203.5151833792,1258.2384391238,1207.2489748243,1269.2895386773,1210.3465013716,1285.4555634138,1211.6348101555,1300.221558979,1213.6819170654,1312.0865370235,1222.8630492121,1319.9310331852,1230.1110810368,1327.2559522794,1236.8593760319,1339.4065332631,1242.579337305,1349.534768805,1248.082701845,1358.9499813351,1255.8444783313,1365.6810499101,1267.0866783854,1372.9724981734,1272.4584328124,1383.6401054792,1279.6005846516,1390.573284916,1292.8028980539,1392.7982402754,1305.9280903054,1396.0089296136,1315.3589923446,1412.7751345876,1320.1283287531,1407.9499918696,1335.2925083818,1420.2160822784,1331.4286765466,1438.4458051682,1334.0960901742,1452.1134887254,1337.419129505,1460.3790888658,1345.2790458655,1473.3003566378,1351.4126302773,1485.5318432393,1358.4204846484,1496.4619027149,1359.8967165134,1505.5373553222,1365.9982282188,1519.730264005,1369.3744810871,1530.4574297344,1378.5394060853,1533.8401641999,1389.6287898272,1542.3838296317,1396.6819408794,1552.6617037128,1405.4475203836,1557.5603126916,1417.3311447969,1558.2489431997,1431.5555960769,1561.6055794273,1443.006745219,1566.387876245,1454.13302447,1570.1698412068,1469.5686497282,1574.533210873,1470.4638514819,1588.4729334431,1475.1468925178,1602.7287195698,1477.7357181053,1616.1214688106,1480.3641995616,1628.7778132659,1486.4326611533,1641.7654956503,1488.4429217646,1653.8764345083,1492.0093021409,1668.4825056658,1495.2879089565,1679.7761208406,1502.3183160314,1692.7531567997,1507.5075803417,1701.305047096,1517.4667216913,1708.5636669199,1521.8397521618,1715.8258182955,1534.5712991636,1715.5863714919,1546.6592839067,1721.4918898487,1556.8500015318,1730.70342248,1565.2124176731,1723.3774998672,1589.866585054,1715.1322748148,1610.8245050087,1708.4949048847,1636.6546783889,1699.2498974005,1661.0102548801,1688.5991625712,1683.6759042507,1680.793944966,1712.6529312307,1669.065540675,1734.6652520764,1667.578100392,1753.641019906,1663.6650969476,1777.9330214859,1660.11722107,1795.2381696633,1659.8866337929,1816.5843571814,1656.5208663113,1835.7520967485,1657.4423444443,1853.519926056,1658.1217682896,1870.6530585094,1657.895742104,1881.238655424,1667.7176159333,1869.4992823378,1697.1141962017,1858.364915332,1718.8323055541,1846.8423347795,1746.0983034148,1835.8918995618,1775.1929451267,1824.6692042356,1801.2753799869,1813.0949183709,1829.1787187463,1800.7593689957,1858.637498744,1790.5030743058,1884.1536386535,1781.7944723562,1912.6366527211,1769.9635291125,1938.0120052938,1763.200536638,1963.9948171653,1759.9305454568],"pressures":[],"seconds_per_step_per_atom":0.0005145857}]