{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" [ 6.80465 6.348713 6.066141 5.860837 5.699494 5.566565 5.453525 5.35519 5.268171 5.19013 5.119386 5.054691 4.995092 4.939843 4.888353 4.840143 4.79482 4.752057 4.711581 4.673159 4.636593 4.601712 4.568368 4.53643 4.504142 4.47087 4.43655 4.401116 4.364492 4.326595 4.287334 4.246607 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.80465e-10 6.348713e-10 6.066141e-10 5.860837e-10 5.699494e-10 5.566565e-10 5.453525000000001e-10 5.35519e-10 5.268171e-10 5.19013e-10 5.119386000000001e-10 5.054691e-10 4.995092e-10 4.939843e-10 4.888353000000001e-10 4.840143000000001e-10 4.79482e-10 4.752057e-10 4.711581e-10 4.673159e-10 4.6365930000000007e-10 4.601712e-10 4.5683680000000006e-10 4.53643e-10 4.504142e-10 4.47087e-10 4.4365500000000006e-10 4.4011160000000004e-10 4.3644920000000003e-10 4.3265950000000003e-10 4.287334000000001e-10 4.2466070000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 2.24309 3.36226 4.34588 5.24739 6.09004 6.87941 7.62407 8.32405 8.98156 9.59792 10.1745 10.7124 11.2102 11.6677 12.0863 12.4652 12.8022 13.0968 13.3481 13.5554 13.7177 13.8341 13.9058 13.93 13.9027 13.8113 13.639 13.3655 12.9626 12.3951 11.6177 10.5714 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.59382638595906e-19 5.38693440943284e-19 6.96286739016792e-19 8.407245647485259e-19 9.757319788125359e-19 1.102202995770594e-18 1.2215106809980379e-18 1.3336598410247698e-18 1.439004556886904e-18 1.5377563159001279e-18 1.6301346162633e-18 1.71631569740616e-18 1.79607205024668e-18 1.86937163125218e-18 1.9364387451514197e-18 1.99714521781368e-18 2.0511385703794797e-18 2.0983386940171198e-18 2.13860139282954e-18 2.17181451445236e-18 2.19781784122218e-18 2.2164671772419396e-18 2.2279547837077196e-18 2.2318320511619998e-18 2.2274581089511797e-18 2.2128142145164197e-18 2.1852087111126e-18 2.1413891801727e-18 2.07683748358884e-18 1.98591395960934e-18 1.8613607480821796e-18 1.69372500686676e-18 ] } }