{ "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" [ "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" [ 5.72438 5.340825 5.103112 4.930402 4.794672 4.682846 4.587752 4.505028 4.431824 4.366172 4.306659 4.252235 4.202097 4.15562 4.112304 4.071747 4.033619 3.997645 3.963595 3.931273 3.900512 3.871169 3.843118 3.81625 3.797959 3.778709 3.758393 3.736886 3.71404 3.689678 3.663582 3.635489 3.605065 3.57189 3.535416 3.494913 3.44938 3.397388 3.336796 3.264185 3.173576 3.053 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.72438e-10 5.340825e-10 5.103112e-10 4.930402e-10 4.794672e-10 4.682846e-10 4.587752e-10 4.5050280000000006e-10 4.431824e-10 4.3661719999999997e-10 4.306659e-10 4.252235e-10 4.2020970000000005e-10 4.1556200000000003e-10 4.112304e-10 4.0717470000000005e-10 4.033619e-10 3.997645e-10 3.963595e-10 3.9312730000000003e-10 3.9005120000000003e-10 3.871169e-10 3.843118e-10 3.81625e-10 3.797959e-10 3.7787090000000004e-10 3.758393e-10 3.7368860000000005e-10 3.71404e-10 3.689678e-10 3.663582e-10 3.635489e-10 3.6050650000000005e-10 3.57189e-10 3.5354160000000005e-10 3.494913e-10 3.4493800000000003e-10 3.397388e-10 3.336796e-10 3.264185e-10 3.1735760000000004e-10 3.053e-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" [ 0 0 0 0 0 0 0 0 0 0 0.000776156 0.0656322 0.209256 0.391387 0.580195 0.756213 0.909601 1.03663 1.13711 1.21277 1.26629 1.30076 1.31929 1.32485 1.32245 1.31509 1.30254 1.28479 1.2622 1.23377 1.19796 1.15267 1.09504 1.02105 0.924857 0.797742 0.626116 0.387713 0.0435958 -0.48043 -1.34396 -2.95955 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.2435389972936447e-22 1.0515437641166977e-20 3.3526507096212484e-20 6.270711010850497e-20 9.29574864505056e-20 1.2115867889450305e-19 1.4573414564563009e-19 1.660864350419904e-19 1.8218510572778883e-19 1.943071740407616e-19 2.028820233152832e-19 2.084047261271808e-19 2.1137355940552322e-19 2.1226436960668802e-19 2.11879847217696e-19 2.1070064522478724e-19 2.086899135656832e-19 2.0584605006376322e-19 2.0222673307737602e-19 1.976717449444416e-19 1.919343504653568e-19 1.8467809254975362e-19 1.7544474868408322e-19 1.6359024386678402e-19 1.4817842629832257e-19 1.2781235818302336e-19 1.0031484171088128e-19 6.211847041802303e-20 6.984817152507264e-21 -7.697337139309441e-20 -2.1532612912903682e-19 -4.741721818088641e-19 ] } }