{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.04995 5.644581 5.393349 5.210816 5.067368 4.949182 4.848679 4.761251 4.683883 4.614497 4.5516 4.49408 4.441091 4.39197 4.346191 4.303328 4.263032 4.225012 4.189025 4.154864 4.122354 4.091342 4.061696 4.0333 4.013969 3.993624 3.972152 3.949422 3.925277 3.899529 3.871949 3.842258 3.810104 3.775042 3.736493 3.693687 3.645564 3.590615 3.526577 3.449836 3.354074 3.22664 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.04995e-10 5.644580999999999e-10 5.393348999999999e-10 5.210816e-10 5.067368000000001e-10 4.949182e-10 4.848679e-10 4.761251e-10 4.683882999999999e-10 4.614497e-10 4.5515999999999996e-10 4.4940800000000004e-10 4.4410910000000005e-10 4.3919699999999997e-10 4.346191e-10 4.3033279999999996e-10 4.263032e-10 4.2250120000000006e-10 4.189025e-10 4.154864e-10 4.122354e-10 4.091342e-10 4.0616960000000003e-10 4.0333e-10 4.013969e-10 3.9936240000000005e-10 3.972152e-10 3.949422e-10 3.9252770000000003e-10 3.899529e-10 3.871949e-10 3.8422580000000003e-10 3.810104e-10 3.7750420000000004e-10 3.736493e-10 3.6936870000000004e-10 3.6455639999999997e-10 3.590615e-10 3.5265770000000004e-10 3.449836e-10 3.3540740000000003e-10 3.2266400000000003e-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" [ 1.31698 1.69227 1.95249 2.18866 2.3958 2.56111 2.69024 2.79182 2.87284 2.93986 2.99844 3.05267 3.10463 3.15378 3.19879 3.23858 3.27263 3.30084 3.32347 3.34097 3.35387 3.36273 3.36797 3.36971 3.36884 3.36591 3.36037 3.35146 3.33817 3.31915 3.29268 3.25688 3.20957 3.14807 3.06871 2.96575 2.82899 2.63931 2.35968 1.91435 1.12518 -0.479038 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1100345660611842e-19 2.711315430081216e-19 3.128233830345792e-19 3.506619882880128e-19 3.83849474811264e-19 4.1033505652970887e-19 4.3102396323409923e-19 4.472988733481856e-19 4.602797083299072e-19 4.710174960425088e-19 4.804030466871552e-19 4.890916505017536e-19 4.974165602234304e-19 5.052912583146624e-19 5.125026552848832e-19 5.188777160590464e-19 5.243331274528704e-19 5.288528677001473e-19 5.324785933930176e-19 5.3528240247941765e-19 5.373492103202496e-19 5.387687388062784e-19 5.396082793555776e-19 5.398870580875968e-19 5.397476687215873e-19 5.392782309716929e-19 5.383906251237696e-19 5.369630857546368e-19 5.348337930255936e-19 5.317864530928321e-19 5.275454915775744e-19 5.218096992751104e-19 5.142298016821056e-19 5.043764154641856e-19 4.916615418015168e-19 4.7516553131376e-19 4.532541638476993e-19 4.2286407770436483e-19 3.7806241285693445e-19 3.0671268140284803e-19 1.8027370901917443e-19 -7.675034840747905e-20 ] } }