{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 6.95048 6.484771 6.196144 5.986441 5.821639 5.685862 5.570399 5.469957 5.381073 5.301359 5.229099 5.163018 5.102141 5.045709 4.993115 4.943872 4.897577 4.853898 4.812555 4.773309 4.73596 4.700331 4.666272 4.63365 4.60067 4.566685 4.53163 4.495436 4.458027 4.419318 4.379215 4.337616 4.294402 4.249444 4.202596 4.153691 4.102541 4.048928 3.992605 3.933283 3.870623 3.804228 3.733624 3.658242 3.577387 3.490202 3.395611 3.292238 3.178283 3.051332 2.908032 2.743543 2.550491 2.31683 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.95048e-10 6.484771e-10 6.196144000000001e-10 5.986441000000001e-10 5.821639000000001e-10 5.685862e-10 5.570399e-10 5.469957e-10 5.381073e-10 5.301359e-10 5.229099e-10 5.163018e-10 5.102141e-10 5.045709e-10 4.993115000000001e-10 4.943872e-10 4.897577000000001e-10 4.853898000000001e-10 4.812555e-10 4.773309e-10 4.735960000000001e-10 4.700331e-10 4.666272e-10 4.6336500000000003e-10 4.60067e-10 4.5666849999999997e-10 4.53163e-10 4.495436e-10 4.4580270000000003e-10 4.419318e-10 4.3792150000000004e-10 4.337616e-10 4.294402e-10 4.2494440000000004e-10 4.202596e-10 4.1536910000000006e-10 4.1025410000000007e-10 4.048928e-10 3.9926050000000003e-10 3.933283e-10 3.870623e-10 3.8042280000000003e-10 3.733624e-10 3.6582420000000003e-10 3.577387e-10 3.490202e-10 3.395611e-10 3.2922380000000005e-10 3.178283e-10 3.051332e-10 2.908032e-10 2.743543e-10 2.5504910000000004e-10 2.31683e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.804763 1.15056 1.42175 1.64748 1.84078 2.009 2.15686 2.28762 2.40364 2.50675 2.59835 2.6796 2.75143 2.81461 2.86983 2.91764 2.95855 2.99298 3.02131 3.04388 3.061 3.07293 3.07993 3.08222 3.07975 3.07174 3.05715 3.03477 3.00311 2.96039 2.90446 2.83269 2.74187 2.62805 2.48631 2.31051 2.09293 1.82372 1.49027 1.07619 0.55994 -0.0871389 -0.903801 -1.94332 -3.2804 -5.02209 -7.3258 -10.43 -14.7092 -20.7764 -29.6904 -43.4026 -65.8306 -105.801 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2893724745077418e-19 1.84340034801504e-19 2.2778946293894998e-19 2.63955396098232e-19 2.94925470433452e-19 3.218772857706e-19 3.4556706948092396e-19 3.66517131147108e-19 3.85105584454776e-19 4.0162562772794996e-19 4.1630156569538997e-19 4.2931925084664e-19 4.408276856086619e-19 4.50950237582274e-19 4.597974569552219e-19 4.67457463442376e-19 4.7401196805207e-19 4.79528262202932e-19 4.84067228607054e-19 4.87683341269992e-19 4.904262676674e-19 4.92337664391762e-19 4.934591880355619e-19 4.93826086484748e-19 4.9343034885615e-19 4.921470053723159e-19 4.8980942966331e-19 4.862237583564179e-19 4.81151267133174e-19 4.743067685527259e-19 4.653457946387639e-19 4.53846972936546e-19 4.392960047465579e-19 4.2106003029836997e-19 3.9835077868805397e-19 3.7018451346233396e-19 3.3532435425976198e-19 2.9219215709584797e-19 2.38767577235118e-19 1.7242464717444597e-19 8.971227844419599e-20 -1.396119094924626e-20 -1.4480488439858338e-19 -3.1135418963848796e-19 -5.2557802301736e-19 -8.04627525184506e-19 -1.17372255853572e-18 -1.6710702292619998e-18 -2.35667365448328e-18 -3.3287462618637597e-18 -4.7569265134113594e-18 -6.953863157484839e-18 -1.054722491222004e-17 -1.69511890053834e-17 ] } }