{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" [ 3.48958 3.255766 3.110857 3.005573 2.922833 2.854664 2.796695 2.746267 2.701642 2.661621 2.625342 2.592165 2.561601 2.533269 2.506864 2.48214 2.458898 2.436968 2.416211 2.396508 2.377756 2.359868 2.342768 2.32639 2.309832 2.292769 2.275169 2.256997 2.238215 2.218781 2.198647 2.177761 2.156065 2.133493 2.109972 2.085418 2.059737 2.03282 2.004542 1.974758 1.943299 1.909964 1.874516 1.836669 1.796075 1.752302 1.704811 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.4895800000000004e-10 3.2557660000000003e-10 3.1108570000000003e-10 3.005573e-10 2.9228329999999996e-10 2.8546640000000004e-10 2.796695e-10 2.746267e-10 2.701642e-10 2.661621e-10 2.625342e-10 2.5921650000000003e-10 2.561601e-10 2.5332690000000004e-10 2.5068640000000003e-10 2.48214e-10 2.458898e-10 2.436968e-10 2.4162110000000003e-10 2.396508e-10 2.377756e-10 2.359868e-10 2.342768e-10 2.32639e-10 2.3098320000000002e-10 2.292769e-10 2.275169e-10 2.2569970000000001e-10 2.238215e-10 2.218781e-10 2.1986469999999998e-10 2.177761e-10 2.156065e-10 2.1334930000000003e-10 2.109972e-10 2.0854180000000004e-10 2.0597370000000003e-10 2.03282e-10 2.0045419999999998e-10 1.974758e-10 1.943299e-10 1.909964e-10 1.874516e-10 1.8366690000000002e-10 1.7960750000000002e-10 1.752302e-10 1.704811e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.65382 2.12852 2.42871 2.61329 2.7366 2.82736 2.89999 2.97333 3.08234 3.2184 3.33803 3.42369 3.48101 3.51952 3.54643 3.56659 3.58285 3.597 3.61029 3.62361 3.63666 3.6476 3.65494 3.65757 3.65439 3.64335 3.62228 3.58976 3.54554 3.48983 3.42015 3.32713 3.1944 3.00188 2.72754 2.34533 1.81825 1.08874 0.0640246 -1.41415 -3.65047 -7.20548 -13.0974 -23.1225 -40.5929 -72.1493 -133.792 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.64971176084188e-19 3.41026500900168e-19 3.89122241276214e-19 4.18695217586586e-19 4.3845165766044e-19 4.52993012790624e-19 4.64629621683366e-19 4.763799851171219e-19 4.93845312604356e-19 5.156445278865599e-19 5.34811366959102e-19 5.48535612005946e-19 5.577192884720339e-19 5.63889270689568e-19 5.68200728011662e-19 5.71430716105806e-19 5.7403585531269e-19 5.763029352498e-19 5.78432227996386e-19 5.80566327272874e-19 5.826571677802439e-19 5.8440994901784e-19 5.855859466671959e-19 5.86007319121938e-19 5.854978269523259e-19 5.837290239483899e-19 5.803532377805519e-19 5.75142959366784e-19 5.680581342912359e-19 5.591324082632219e-19 5.4796844147751e-19 5.330649944280419e-19 5.1179930396496e-19 4.80954199407192e-19 4.37000085630036e-19 3.75763292501922e-19 2.9131576647704997e-19 1.7443537885011599e-19 1.025787181211964e-20 -2.2657180869711e-19 -5.8486977371179795e-19 -1.1544451692754318e-18 -2.0984348246151598e-18 -3.7046329219665e-18 -6.50369958862986e-18 -1.1559592261945618e-17 -2.14358416216128e-17 ] } }