{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.52481 7.02062 6.708143 6.481112 6.302693 6.155696 6.030693 5.921951 5.825722 5.739422 5.661191 5.58965 5.523743 5.462647 5.405708 5.352396 5.302276 5.254987 5.210228 5.16774 5.127304 5.088731 5.051858 5.01654 4.980835 4.944041 4.90609 4.866905 4.826404 4.784497 4.74108 4.696043 4.649258 4.600586 4.549866 4.49692 4.441542 4.3835 4.322523 4.258298 4.19046 4.118579 4.042141 3.96053 3.872993 3.778604 3.676196 3.56428 3.440909 3.303467 3.148326 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.524810000000001e-10 7.020620000000001e-10 6.708143e-10 6.481112e-10 6.302693e-10 6.155696000000001e-10 6.030693000000001e-10 5.921951e-10 5.825722e-10 5.739422000000001e-10 5.661191e-10 5.58965e-10 5.523743e-10 5.462647e-10 5.405708e-10 5.352396e-10 5.302276e-10 5.254987e-10 5.210228e-10 5.16774e-10 5.127304e-10 5.088731000000001e-10 5.051858e-10 5.016540000000001e-10 4.980835e-10 4.944041e-10 4.90609e-10 4.866905000000001e-10 4.826404e-10 4.784497e-10 4.74108e-10 4.696043e-10 4.6492579999999997e-10 4.600586e-10 4.549866e-10 4.4969200000000004e-10 4.441542e-10 4.3835e-10 4.3225230000000004e-10 4.258298e-10 4.19046e-10 4.1185790000000007e-10 4.042141e-10 3.96053e-10 3.8729930000000003e-10 3.778604e-10 3.676196e-10 3.56428e-10 3.4409090000000003e-10 3.303467e-10 3.148326e-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" [ 0.848244 1.11195 1.30743 1.51141 1.72823 1.92945 2.10661 2.25345 2.37346 2.47348 2.56309 2.64804 2.72824 2.80239 2.86959 2.9295 2.98214 3.02775 3.06671 3.09941 3.1263 3.14758 3.16188 3.16689 3.16152 3.14494 3.117 3.07778 3.02734 2.96558 2.89259 2.80859 2.71332 2.60577 2.48422 2.34641 2.1895 2.00948 1.80164 1.56273 1.28738 0.967009 0.589861 0.140272 -0.401979 -1.05605 -1.86963 -2.90444 -4.25905 -6.15985 -8.96597 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.359036716730696e-19 1.7815403081762998e-19 2.09473379659062e-19 2.42154578639394e-19 2.7689297241778197e-19 3.0913197064713e-19 3.3751613189507395e-19 3.6104249358872997e-19 3.80270215373364e-19 3.9629518606663194e-19 4.1065229088390593e-19 4.24262781389736e-19 4.37112237994416e-19 4.489923777355259e-19 4.59759004716006e-19 4.6935764493029995e-19 4.777915027316759e-19 4.8509903035935e-19 4.91341110525414e-19 4.96580228118594e-19 5.008884810874199e-19 5.04297912964572e-19 5.06589025551192e-19 5.073917160448259e-19 5.065313471923679e-19 5.03874938333196e-19 4.993984568178e-19 4.93114720059252e-19 4.85033341117356e-19 4.75138298225772e-19 4.63444010974206e-19 4.49985727248606e-19 4.3472179045648795e-19 4.17490380757818e-19 3.98015923771548e-19 3.75936327578394e-19 3.5079657401429994e-19 3.21954190249032e-19 2.8865455108797596e-19 2.5037694912508198e-19 2.0626101550789198e-19 1.5493192246677058e-19 9.450615115078739e-20 2.24740520804448e-20 -6.44041361158686e-20 -1.6919786343356997e-19 -2.9954775002254197e-19 -4.653425902854959e-19 -6.8237503930377e-19 -9.8691677389449e-19 -1.4365067635144979e-18 ] } }