{ "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" [ "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" [ 9.99082 9.321399 8.906518 8.605086 8.368196 8.173026 8.007057 7.862679 7.734914 7.620332 7.516464 7.421477 7.333971 7.252854 7.177255 7.106471 7.039926 6.97714 6.917712 6.8613 6.807613 6.7564 6.707442 6.66055 6.628627 6.595029 6.559571 6.522035 6.482162 6.439642 6.394097 6.345065 6.291966 6.234065 6.170406 6.099716 6.020247 5.929504 5.823753 5.697024 5.538883 5.32844 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.99082e-10 9.321399e-10 8.906518000000001e-10 8.605086e-10 8.368196e-10 8.173026000000001e-10 8.007057e-10 7.862679000000001e-10 7.734914e-10 7.620332000000001e-10 7.516464000000001e-10 7.421477000000001e-10 7.333971000000001e-10 7.252854000000001e-10 7.177255e-10 7.106471e-10 7.039926000000001e-10 6.977140000000001e-10 6.917712000000001e-10 6.8613e-10 6.807613e-10 6.756400000000001e-10 6.707442000000001e-10 6.66055e-10 6.628627e-10 6.595029e-10 6.559571e-10 6.522035e-10 6.482162e-10 6.439642e-10 6.394097000000001e-10 6.345065e-10 6.291966e-10 6.234065e-10 6.170406e-10 6.099716e-10 6.020247000000001e-10 5.929504e-10 5.823753000000001e-10 5.697024e-10 5.538883e-10 5.32844e-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 9.01771e-09 0.00750202 0.0979769 0.295512 0.548488 0.815216 1.0735 1.31318 1.53036 1.72424 1.89551 2.0455 2.17578 2.28795 2.38355 2.46399 2.53055 2.58442 2.62663 2.65811 2.67972 2.6922 2.69622 2.6943 2.68804 2.67653 2.65865 2.63299 2.59772 2.55049 2.48819 2.40661 2.30003 2.1603 1.97561 1.72808 1.38935 0.911594 0.207292 -0.901688 -2.86269 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.4447964135154369e-27 1.2019561052774017e-21 1.5697629855845955e-20 4.7346241756584965e-20 8.787746503893504e-20 1.306120016102093e-19 1.7199366024288e-19 2.103946294902144e-19 2.451907013407488e-19 2.762537016648192e-19 3.0369418064926084e-19 3.2772522778464003e-19 3.4859838480042245e-19 3.66569999955936e-19 3.8188680845078405e-19 3.947747171884992e-19 4.05438804776544e-19 4.1406973023279365e-19 4.208325177491904e-19 4.2587616975146886e-19 4.293384734290176e-19 4.3133798985177607e-19 4.319820648533376e-19 4.3167444694214406e-19 4.3067148437752324e-19 4.2882737908698243e-19 4.2596268728899204e-19 4.218515020800192e-19 4.162006251384576e-19 4.086335449584192e-19 3.986519846108352e-19 3.8558142773834882e-19 3.685054293138624e-19 3.46118215391424e-19 3.1652761538186884e-19 2.7686893748720643e-19 2.2259840881084803e-19 1.4605345944615554e-19 3.3211839607887365e-20 -1.4446634328559105e-19 -4.586534990597953e-19 ] } }