{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.06981 8.462099 8.085464 7.811819 7.596767 7.419588 7.26892 7.137851 7.021864 6.917845 6.823552 6.737321 6.657882 6.584242 6.515612 6.451354 6.390943 6.333946 6.279996 6.228784 6.180046 6.133554 6.089109 6.04654 6.01756 5.987059 5.95487 5.920794 5.884597 5.845996 5.80465 5.760138 5.711934 5.659371 5.60158 5.537407 5.465263 5.382886 5.286883 5.171836 5.028273 4.83723 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.069810000000001e-10 8.462099000000001e-10 8.085464000000001e-10 7.811819e-10 7.596767e-10 7.419588e-10 7.26892e-10 7.137851000000001e-10 7.021864e-10 6.917845000000001e-10 6.823552e-10 6.737321e-10 6.657882e-10 6.584242e-10 6.515612e-10 6.451354000000001e-10 6.390943e-10 6.333946e-10 6.279996e-10 6.228784e-10 6.180046000000001e-10 6.133554e-10 6.089109e-10 6.04654e-10 6.01756e-10 5.987059e-10 5.95487e-10 5.920794e-10 5.884597000000001e-10 5.845996000000001e-10 5.80465e-10 5.760138e-10 5.711934e-10 5.659371e-10 5.60158e-10 5.537407e-10 5.465263e-10 5.382886e-10 5.286883e-10 5.171836e-10 5.028273000000001e-10 4.83723e-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" [ 0.636998 0.996609 1.31705 1.55333 1.7251 1.85697 1.96437 2.05176 2.12187 2.17972 2.22924 2.27203 2.30885 2.34023 2.36687 2.38956 2.40885 2.4251 2.43859 2.44956 2.45809 2.46419 2.46785 2.46908 2.46847 2.46644 2.46265 2.45667 2.44798 2.43597 2.4199 2.39881 2.37144 2.33611 2.29038 2.23121 2.15435 2.05509 1.93009 1.77944 1.59618 1.32454 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0205833030963584e-19 1.5967436398788673e-19 2.1101467184246402e-19 2.4887090103872644e-19 2.7639148885420804e-19 2.9751939195269763e-19 3.147267688600896e-19 3.287281903492608e-19 3.399610506376896e-19 3.4922964238901763e-19 3.571636210152192e-19 3.640193347756224e-19 3.6991854909340804e-19 3.7494617932947843e-19 3.792143778472896e-19 3.828497165998848e-19 3.8594031530140802e-19 3.8854385231020804e-19 3.9070518857166724e-19 3.9246277632468483e-19 3.938294329822272e-19 3.9480676072091522e-19 3.95393157364128e-19 3.955902250884864e-19 3.954924923146176e-19 3.9516725046059522e-19 3.94560025521312e-19 3.936019239020736e-19 3.922096324185984e-19 3.9028541829701767e-19 3.8771072046739206e-19 3.8433172997412483e-19 3.7994657256299527e-19 3.7428608256170885e-19 3.669593288747904e-19 3.574792498095168e-19 3.45164920302048e-19 3.292617151639872e-19 3.092345074039872e-19 2.850977166116352e-19 2.557362278588544e-19 2.1221470213144323e-19 ] } }