[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A11B4_oP15_16_abcjku_u" } "stoichiometric-species" { "source-value" [ "C" "N" ] } "a" { "source-value" 7.3438 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -7.63958 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -114.5937 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "x4" "x5" "x6" "y6" "z6" "x7" "y7" "z7" ] } "parameter-values" { "source-value" [ 0.49068602 0.47649718 0.74455046 0.72128276 0.86039158 0.73562218 0.23054404 0.61901614 0.76716911 0.75559437 ] } "library-prototype-label" { "source-value" "A11B4_oP15_16_acgqtu_u-001" } "short-name" { "source-value" "carbo-nitride; C11N4, ICSD #184897" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A11B4_oP15_16_abcjku_u" } "stoichiometric-species" { "source-value" [ "C" "N" ] } "a" { "source-value" 7.3438 "source-unit" "angstrom" } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" } "temperature" { "source-value" 0.0 "source-unit" "K" } "parameter-names" { "source-value" [ "b/a" "c/a" "x4" "x5" "x6" "y6" "z6" "x7" "y7" "z7" ] } "parameter-values" { "source-value" [ 0.49068602 0.47649718 0.74455046 0.72128276 0.86039158 0.73562218 0.23054404 0.61901614 0.76716911 0.75559437 ] } "library-prototype-label" { "source-value" "A11B4_oP15_16_acgqtu_u-001" } "short-name" { "source-value" "carbo-nitride; C11N4, ICSD #184897" } } ]