{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.75329 7.233791 6.911826 6.677902 6.494065 6.342605 6.213806 6.101763 6.002612 5.913691 5.833085 5.759371 5.691463 5.628513 5.569845 5.514914 5.463272 5.414547 5.368429 5.32465 5.282987 5.243243 5.20525 5.16886 5.144086 5.118013 5.090497 5.061367 5.030424 4.997427 4.962082 4.924031 4.882824 4.837891 4.788489 4.733631 4.67196 4.60154 4.519472 4.421126 4.298402 4.13509 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.75329e-10 7.233791000000001e-10 6.911826e-10 6.677902e-10 6.494065000000001e-10 6.342605e-10 6.213806000000001e-10 6.101763e-10 6.002612e-10 5.913691e-10 5.833085e-10 5.759371e-10 5.691463e-10 5.628513e-10 5.569845000000001e-10 5.514914000000001e-10 5.463272000000001e-10 5.414547e-10 5.368429e-10 5.32465e-10 5.282987e-10 5.243243e-10 5.20525e-10 5.168859999999999e-10 5.144086e-10 5.118013e-10 5.090497e-10 5.061367e-10 5.030424e-10 4.997427e-10 4.962082e-10 4.924031e-10 4.882824e-10 4.837891e-10 4.788489e-10 4.733631e-10 4.671960000000001e-10 4.60154e-10 4.5194720000000006e-10 4.4211260000000004e-10 4.2984020000000005e-10 4.13509e-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" [ 0.741738 1.04957 1.29386 1.51001 1.71843 1.91908 2.1001 2.25564 2.38781 2.50109 2.59958 2.68638 2.76377 2.83332 2.89597 2.95214 3.00181 3.04479 3.08085 3.10989 3.13196 3.14728 3.15617 3.15905 3.15768 3.15323 3.14511 3.13256 3.1147 3.0904 3.05829 3.01661 2.96311 2.89489 2.80816 2.6976 2.55419 2.36295 2.0977 1.70791 1.08624 -0.0295864 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1883952823589504e-19 1.6815965158930558e-19 2.0729922425882882e-19 2.419302719174208e-19 2.753228370481344e-19 3.074705109444864e-19 3.36473112134208e-19 3.6139336729413124e-19 3.8256933569124484e-19 4.007187924516672e-19 4.164986299899264e-19 4.3040552305847046e-19 4.428047679268416e-19 4.539479063245057e-19 4.639855428538176e-19 4.729849689328512e-19 4.809429802083648e-19 4.878291353245632e-19 4.93606584219168e-19 4.982593051259712e-19 5.017953089280768e-19 5.042498435111424e-19 5.056741785270336e-19 5.061356053938241e-19 5.059161071967744e-19 5.052031386005184e-19 5.039021711844288e-19 5.018914395253248e-19 4.99029952080576e-19 4.95136662892032e-19 4.899920737626432e-19 4.833142016071488e-19 4.747425566858688e-19 4.638125077787713e-19 4.499168299465729e-19 4.32203165227008e-19 4.0922635030811526e-19 3.7858632461193604e-19 3.3608858974521604e-19 2.7363734724305283e-19 1.7403483325777923e-19 -4.740263837363712e-21 ] } }