{ "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" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" ] } "a" { "source-value" [ 12.122 11.309781 10.806399 10.440666 10.153244 9.916441 9.715069 9.539892 9.384873 9.245849 9.119824 9.004575 8.898403 8.799981 8.708256 8.622373 8.541633 8.465454 8.393349 8.324903 8.259764 8.197626 8.138225 8.08133 8.042597 8.001833 7.958811 7.913268 7.86489 7.813299 7.758039 7.698547 7.634122 7.56387 7.486631 7.400862 7.30444 7.194341 7.066031 6.912268 6.720394 6.46506 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.2122e-09 1.1309781e-09 1.0806399e-09 1.0440666e-09 1.0153244000000001e-09 9.916441000000002e-10 9.715069e-10 9.539892e-10 9.384873000000001e-10 9.245849e-10 9.119824e-10 9.004575000000001e-10 8.898403e-10 8.799981000000001e-10 8.708256e-10 8.622373e-10 8.541633e-10 8.465453999999999e-10 8.393349e-10 8.324903000000001e-10 8.259764000000001e-10 8.197626e-10 8.138225000000001e-10 8.08133e-10 8.042597000000001e-10 8.001832999999999e-10 7.958811e-10 7.913268000000001e-10 7.86489e-10 7.813299e-10 7.758039000000001e-10 7.698547e-10 7.634122e-10 7.56387e-10 7.486631e-10 7.400862e-10 7.304439999999999e-10 7.194341e-10 7.066031e-10 6.912268e-10 6.720394e-10 6.46506e-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" [ 1.25005 1.4793 1.63866 1.76085 1.85915 1.9405 2.00901 2.06741 2.11758 2.16089 2.19836 2.23081 2.25887 2.28305 2.30378 2.32141 2.33624 2.34852 2.35848 2.3663 2.37215 2.37617 2.37851 2.37926 2.3789 2.37772 2.37554 2.37215 2.36727 2.36053 2.35148 2.33949 2.32373 2.30305 2.2758 2.2396 2.19082 2.12369 2.02848 1.88737 1.66396 1.27007 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0028009013317e-19 2.3700998946762e-19 2.62542276307044e-19 2.8211927259788997e-19 2.9786866891011e-19 3.1090237582769994e-19 3.2187888794723397e-19 3.31235599489794e-19 3.3927371966257193e-19 3.46212746664426e-19 3.52216102512024e-19 3.5741516568935396e-19 3.6191087332435795e-19 3.6578493642536994e-19 3.69106248587652e-19 3.71930885993394e-19 3.74306913941616e-19 3.76274386848168e-19 3.7787015477563198e-19 3.7912305690341993e-19 3.8006033023430996e-19 3.80704405241178e-19 3.8107931457353396e-19 3.8119947782108397e-19 3.8114179946225993e-19 3.80952742619448e-19 3.8060346811323596e-19 3.8006033023430996e-19 3.79278468036918e-19 3.7819860098560195e-19 3.76748631131832e-19 3.74827621347666e-19 3.7230259097248197e-19 3.6898928969336995e-19 3.6462335836571993e-19 3.5882347895063997e-19 3.51008061329988e-19 3.4025264958594596e-19 3.2499832585363196e-19 3.0239001137125796e-19 2.66595783191064e-19 2.03487647754438e-19 ] } }