{ "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" [ 7.65927 7.146071 6.82801 6.596922 6.415315 6.265691 6.138455 6.02777 5.929822 5.841979 5.762351 5.689531 5.622446 5.560259 5.502302 5.448037 5.397022 5.348888 5.303328 5.260081 5.218923 5.179661 5.142129 5.10618 5.081707 5.05595 5.028766 4.99999 4.969422 4.936824 4.901908 4.864319 4.823611 4.779223 4.73042 4.676226 4.615302 4.545736 4.464663 4.367509 4.246272 4.08494 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.65927e-10 7.146071e-10 6.82801e-10 6.596922e-10 6.415315e-10 6.265691000000001e-10 6.138455e-10 6.02777e-10 5.929822e-10 5.841979000000001e-10 5.762351e-10 5.689530999999999e-10 5.622446e-10 5.560259e-10 5.502302e-10 5.448037000000001e-10 5.397022e-10 5.348888e-10 5.303327999999999e-10 5.260080999999999e-10 5.218923000000001e-10 5.179661e-10 5.142129e-10 5.10618e-10 5.081707e-10 5.05595e-10 5.028766e-10 4.99999e-10 4.969422e-10 4.936823999999999e-10 4.901908e-10 4.864319e-10 4.823611e-10 4.779223e-10 4.73042e-10 4.676226e-10 4.615302e-10 4.5457359999999997e-10 4.464663e-10 4.3675090000000005e-10 4.2462720000000005e-10 4.08494e-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" [ 0.9157 1.60716 2.12572 2.50177 2.78705 3.01204 3.19448 3.34532 3.47791 3.58443 3.67501 3.75226 3.81819 3.87436 3.922 3.96215 3.99563 4.02315 4.0453 4.06258 4.07543 4.08422 4.08929 4.09092 4.09014 4.08761 4.08296 4.07574 4.06538 4.05116 4.03213 4.00703 3.97419 3.93132 3.87515 3.80098 3.70171 3.56612 3.37541 3.09555 2.65763 1.89702 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.46711313166656e-19 2.574954177884928e-19 3.405778886366976e-19 4.0082774046188164e-19 4.46534635100064e-19 4.825820068914432e-19 5.118121171613185e-19 5.359793493094656e-19 5.572226091246528e-19 5.742889944894144e-19 5.888015103206208e-19 6.011783247163009e-19 6.117414751772352e-19 6.207409012562688e-19 6.283736706777601e-19 6.34806409810272e-19 6.401704971367104e-19 6.445796871971521e-19 6.48128508412224e-19 6.508970696129664e-19 6.529558665706944e-19 6.543641798203777e-19 6.551764833671233e-19 6.554376381563136e-19 6.553126683798912e-19 6.549073176948288e-19 6.541623055661568e-19 6.530055340459392e-19 6.513456790667904e-19 6.490673839120129e-19 6.460184418026305e-19 6.419969784844224e-19 6.367354304617153e-19 6.298668992883456e-19 6.20867473209312e-19 6.089841292128384e-19 5.930793218981568e-19 5.713554090967296e-19 5.408002987614529e-19 4.95961783851744e-19 4.2579926527367044e-19 3.039361093190016e-19 ] } }