{ "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" [ "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" [ 5.7 5.318079 5.08138 4.909405 4.774253 4.662904 4.568215 4.485844 4.412951 4.347579 4.28832 4.234127 4.184203 4.137924 4.094793 4.054409 4.016443 3.980623 3.946717 3.914533 3.883903 3.854685 3.826753 3.8 3.781787 3.762619 3.742389 3.720974 3.698226 3.673967 3.647982 3.620008 3.589714 3.556681 3.520362 3.480031 3.434692 3.382921 3.322588 3.250286 3.160063 3.04 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.7e-10 5.318079e-10 5.08138e-10 4.909405e-10 4.774253e-10 4.662904000000001e-10 4.5682150000000004e-10 4.485844e-10 4.4129509999999995e-10 4.3475789999999996e-10 4.2883199999999997e-10 4.234127e-10 4.1842030000000003e-10 4.137924e-10 4.0947930000000005e-10 4.054409e-10 4.016443e-10 3.9806230000000003e-10 3.946717e-10 3.914533e-10 3.8839030000000003e-10 3.854685e-10 3.826753e-10 3.8e-10 3.7817870000000003e-10 3.762619e-10 3.7423890000000005e-10 3.7209740000000004e-10 3.698226e-10 3.6739670000000003e-10 3.647982e-10 3.620008e-10 3.589714e-10 3.5566810000000004e-10 3.5203620000000004e-10 3.480031e-10 3.434692e-10 3.382921e-10 3.3225880000000003e-10 3.2502860000000003e-10 3.1600630000000004e-10 3.0400000000000004e-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" [ 1.84041 2.42549 2.86497 3.22706 3.5385 3.81273 4.0575 4.27771 4.47668 4.65678 4.81974 4.96691 5.09933 5.21784 5.32315 5.41583 5.49637 5.56519 5.62266 5.66911 5.70483 5.73006 5.74505 5.75 5.74756 5.73947 5.72428 5.70018 5.66476 5.61484 5.54615 5.45286 5.32679 5.15629 4.92414 4.60419 4.15491 3.50388 2.51058 0.898813 -1.97518 -8.25386 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.94866189897994e-19 3.8860634040006594e-19 4.590187991110979e-19 5.170320128516039e-19 5.669302019409e-19 6.10866691775082e-19 6.500831692454999e-19 6.853647009028139e-19 7.17243209389512e-19 7.46098410567852e-19 7.72207480995516e-19 7.95786714518094e-19 8.170027375055219e-19 8.359901327950559e-19 8.528626549277099e-19 8.677116279716218e-19 8.806155585818579e-19 8.91641738177046e-19 9.00849447292644e-19 9.08291557757574e-19 9.14014532694222e-19 9.18056824341804e-19 9.204584871161699e-19 9.2125156455e-19 9.20860633451304e-19 9.19564472554398e-19 9.17130766247352e-19 9.132695205594118e-19 9.07594610921784e-19 8.99596545164856e-19 8.8859119386591e-19 8.73644488047324e-19 8.534458472224859e-19 8.26128735612786e-19 7.88934205054476e-19 7.37672563649646e-19 6.65689971837294e-19 5.61383466433992e-19 4.02239261378772e-19 1.440057186935442e-19 -3.1645872439441195e-19 -1.3224141632307238e-18 ] } }