{ "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" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" [ 8.13889 7.593555 7.255578 7.01002 6.817041 6.658048 6.522844 6.405228 6.301147 6.207804 6.123189 6.045809 5.974524 5.908442 5.846857 5.789194 5.734984 5.683836 5.635424 5.589468 5.545733 5.504013 5.46413 5.42593 5.387312 5.347515 5.306466 5.264084 5.220278 5.17495 5.127991 5.079278 5.028676 4.976031 4.921173 4.863906 4.804009 4.74123 4.675277 4.605811 4.532437 4.45469 4.372014 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.138890000000001e-10 7.593555000000001e-10 7.255578e-10 7.01002e-10 6.817041e-10 6.658048e-10 6.522844e-10 6.405228e-10 6.301147000000001e-10 6.207804e-10 6.123189e-10 6.045809000000001e-10 5.974524e-10 5.908442e-10 5.846857e-10 5.789194e-10 5.734984e-10 5.683836000000001e-10 5.635424e-10 5.589468e-10 5.545733e-10 5.504013e-10 5.46413e-10 5.42593e-10 5.387312e-10 5.347515e-10 5.306466000000001e-10 5.264084000000001e-10 5.220278e-10 5.17495e-10 5.127990999999999e-10 5.079278e-10 5.028676e-10 4.976031e-10 4.921173e-10 4.863906e-10 4.804009e-10 4.74123e-10 4.675277e-10 4.605811e-10 4.532437e-10 4.4546900000000006e-10 4.3720140000000003e-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" [ 0.532448 0.798107 1.03159 1.24558 1.4456 1.63298 1.80974 1.97589 2.13196 2.27827 2.41513 2.54282 2.66099 2.76958 2.86893 2.95887 3.03888 3.1088 3.16846 3.21765 3.25617 3.28381 3.30083 3.30658 3.30009 3.2784 3.23749 3.17258 3.07695 2.94224 2.75772 2.50934 2.17867 1.74144 1.16464 0.403696 -0.601982 -1.93875 -3.72804 -6.14383 -9.44464 -14.0188 -20.4707 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.53075744420032e-20 1.2787083868318378e-19 1.6527893938680598e-19 1.9956391717777196e-19 2.3161065421104e-19 2.61632239978932e-19 2.8995231416151596e-19 3.16572478935426e-19 3.4157764966226394e-19 3.65019095994318e-19 3.8694648540724197e-19 4.0740467884678797e-19 4.26337600130766e-19 4.437356361993719e-19 4.59653261058162e-19 4.740632377043579e-19 4.86882252952992e-19 4.9808467197792e-19 5.07643257776364e-19 5.1552436463901e-19 5.21695949033178e-19 5.261243652495539e-19 5.288512698806219e-19 5.29772521445172e-19 5.28732708809706e-19 5.252575876905599e-19 5.18703083080866e-19 5.083033545495719e-19 4.9298173939863e-19 4.7139881796201595e-19 4.41835454711448e-19 4.0204059147615594e-19 3.4906141671967796e-19 2.79009447751296e-19 1.8659589950217598e-19 6.467922984392639e-20 -9.64481494488588e-20 -3.1062199491674996e-19 -5.972978578617359e-19 -9.84350086926822e-19 -1.5131981524541758e-18 -2.24605937967192e-18 -3.2797677221623798e-18 ] } }