{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.49079 4.18989 4.003405 3.867913 3.761433 3.673706 3.599104 3.534207 3.476778 3.425274 3.378587 3.335891 3.296557 3.260096 3.226115 3.194298 3.164387 3.136165 3.109452 3.084096 3.059964 3.036944 3.014938 2.99386 2.972551 2.950593 2.927943 2.904558 2.880387 2.855377 2.829466 2.802588 2.774667 2.745619 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.4907899999999995e-10 4.18989e-10 4.003405e-10 3.867913e-10 3.7614329999999997e-10 3.6737060000000003e-10 3.599104e-10 3.534207e-10 3.476778e-10 3.425274e-10 3.378587e-10 3.335891e-10 3.296557e-10 3.260096e-10 3.226115e-10 3.194298e-10 3.164387e-10 3.136165e-10 3.109452e-10 3.0840960000000005e-10 3.059964e-10 3.036944e-10 3.014938e-10 2.99386e-10 2.972551e-10 2.950593e-10 2.927943e-10 2.9045580000000005e-10 2.8803869999999997e-10 2.8553769999999997e-10 2.829466e-10 2.802588e-10 2.774667e-10 2.745619e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.97238 4.44868 5.7492 6.94019 8.0474 9.08673 10.0644 10.9836 11.8471 12.6567 13.4145 14.1197 14.7723 15.3738 15.9241 16.4223 16.8657 17.2534 17.5844 17.8577 18.0724 18.228 18.3223 18.354 18.3182 18.1988 17.9743 17.6168 17.09 16.3477 15.3304 13.9608 12.1376 9.72525 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.762277783368919e-19 7.12757114814312e-19 9.2112339041928e-19 1.1119410253520459e-18 1.2893356244451599e-18 1.4558546485466817e-18 1.6124946515229598e-18 1.7597667277202397e-18 1.8981146800661396e-18 2.02782690035478e-18 2.1492398456792998e-18 2.2622253419089798e-18 2.3667833890438197e-18 2.4631543135789196e-18 2.5513220937479396e-18 2.63114253365382e-18 2.7021830456053797e-18 2.7642994337055596e-18 2.8173314802909598e-18 2.8611189676981802e-18 2.8955177000301594e-18 2.9204475684552002e-18 2.9355560941138195e-18 2.9406349940435996e-18 2.93489920169388e-18 2.9157692126839197e-18 2.8798003472506196e-18 2.82252253258512e-18 2.738119867506e-18 2.6191902959641798e-18 2.4562008669873597e-18 2.23676675519472e-18 1.94465791128384e-18 1.55815683098085e-18 ] } }