{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.18567 7.637199 7.297279 7.050309 6.85622 6.696313 6.560331 6.442039 6.337359 6.243479 6.158378 6.080553 6.008858 5.942397 5.880457 5.822463 5.767941 5.716499 5.667808 5.621589 5.577602 5.535642 5.49553 5.45711 5.430955 5.403428 5.374377 5.343623 5.310954 5.276116 5.238801 5.198628 5.155123 5.107684 5.055527 4.99761 4.932499 4.858152 4.771508 4.667677 4.538109 4.36569 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.185670000000001e-10 7.637199e-10 7.297279e-10 7.050309000000001e-10 6.856220000000001e-10 6.696313e-10 6.560331e-10 6.442039e-10 6.337359000000001e-10 6.243479e-10 6.158378e-10 6.080553e-10 6.008858e-10 5.942397e-10 5.880457e-10 5.822463e-10 5.767941000000001e-10 5.716499e-10 5.667808e-10 5.621589e-10 5.577602e-10 5.535642e-10 5.49553e-10 5.457110000000001e-10 5.430955e-10 5.403428e-10 5.374377e-10 5.343623e-10 5.310954e-10 5.276116e-10 5.238801e-10 5.198628000000001e-10 5.155123e-10 5.107684e-10 5.055527e-10 4.99761e-10 4.932499e-10 4.858152e-10 4.771508e-10 4.667677e-10 4.5381090000000004e-10 4.36569e-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" [ 0.00341667 0.229483 0.62273 0.991891 1.30453 1.5645 1.78085 1.96182 2.11405 2.24266 2.35166 2.44416 2.52264 2.58909 2.64511 2.69201 2.73089 2.76265 2.78807 2.80779 2.82238 2.83232 2.83801 2.83984 2.83897 2.83616 2.831 2.82302 2.8116 2.79598 2.77514 2.74776 2.71208 2.6659 2.60663 2.53029 2.42549 2.25789 1.93777 1.25153 -0.30776 -4.05929 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.474108794988736e-22 3.676722974710464e-20 9.97723447070784e-20 1.5891845705819328e-19 2.090087467132224e-19 2.5066053232416003e-19 2.85323623515168e-19 3.143182138217856e-19 3.3870814852022407e-19 3.593137420403328e-19 3.767774672070528e-19 3.9159760094945284e-19 4.041714830694912e-19 4.1481794671470725e-19 4.237933401444288e-19 4.313075484959808e-19 4.375368111976512e-19 4.42625324145312e-19 4.466980571153856e-19 4.498575494116031e-19 4.521951251013504e-19 4.537876886624256e-19 4.546993271596609e-19 4.549925254812673e-19 4.548531361152576e-19 4.544029244848128e-19 4.535762013484801e-19 4.522976644050816e-19 4.50467978704128e-19 4.479653788224384e-19 4.446264427446912e-19 4.402396831569408e-19 4.345231169739264e-19 4.2712426533907206e-19 4.1762816450759043e-19 4.053971481844032e-19 3.886063371984192e-19 3.6175385703381124e-19 3.104649790487616e-19 2.0051721062298242e-19 -4.93085876817408e-20 -6.503699535047232e-19 ] } }