{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.38476 5.023961 4.800352 4.637889 4.510212 4.405021 4.315569 4.237753 4.168892 4.107135 4.051153 3.999958 3.952795 3.909075 3.868329 3.830179 3.794313 3.760473 3.728443 3.698038 3.669103 3.6415 3.615113 3.58984 3.572634 3.554526 3.535415 3.515185 3.493694 3.470777 3.446229 3.419802 3.391184 3.359977 3.325666 3.287566 3.244735 3.195827 3.13883 3.070526 2.985293 2.87187 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.384760000000001e-10 5.023961e-10 4.800352e-10 4.6378890000000007e-10 4.5102120000000003e-10 4.405021e-10 4.315569e-10 4.2377529999999996e-10 4.168892e-10 4.1071350000000005e-10 4.0511530000000005e-10 3.999958e-10 3.952795e-10 3.9090750000000003e-10 3.8683290000000004e-10 3.830179e-10 3.794313e-10 3.7604730000000003e-10 3.728443e-10 3.6980380000000003e-10 3.6691029999999997e-10 3.6415000000000003e-10 3.6151130000000003e-10 3.58984e-10 3.572634e-10 3.554526e-10 3.535415e-10 3.515185e-10 3.493694e-10 3.470777e-10 3.4462290000000004e-10 3.419802e-10 3.391184e-10 3.359977e-10 3.325666e-10 3.287566e-10 3.244735e-10 3.1958270000000003e-10 3.1388300000000003e-10 3.0705260000000004e-10 2.985293e-10 2.87187e-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" [ 0.999785 1.42168 1.74203 2.00182 2.21935 2.40669 2.57069 2.71186 2.83491 2.94274 3.03735 3.12026 3.19274 3.25584 3.31051 3.35767 3.39804 3.43186 3.45934 3.48096 3.49718 3.50839 3.51492 3.51703 3.51602 3.51267 3.5065 3.49685 3.48293 3.46371 3.43795 3.40405 3.35964 3.30082 3.22208 3.11617 2.97219 2.77253 2.48727 2.06174 1.38084 0.172681 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6018321528265282e-19 2.277782458258944e-19 2.791039738732224e-19 3.207269203049856e-19 3.5557906833724803e-19 3.855942451513153e-19 4.118699417324352e-19 4.344878690882689e-19 4.542026524072128e-19 4.714789229092992e-19 4.86637115918688e-19 4.999207622817409e-19 5.115333384292993e-19 5.216430729065473e-19 5.304021724924608e-19 5.379580374361537e-19 5.444260244543232e-19 5.498445857858688e-19 5.542473671398273e-19 5.5771127299399685e-19 5.603100034729345e-19 5.621060434648512e-19 5.631522647982337e-19 5.6349032406522245e-19 5.633285042265217e-19 5.627917750585537e-19 5.6180323208352e-19 5.60257131644448e-19 5.580269017882944e-19 5.549475183231168e-19 5.50820311347936e-19 5.45388932603424e-19 5.382736662304513e-19 5.288496633469056e-19 5.162341246347265e-19 4.992654720438336e-19 4.761973330575552e-19 4.442082746466625e-19 3.9850458436172165e-19 3.303271626168192e-19 2.212349565065472e-19 2.7666546105636483e-20 ] } }