[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A5BC2_mP32_14_5e_e_2e" } "stoichiometric-species" { "source-value" [ "H" "N" "O" ] } "a" { "source-value" 2.9677 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.9677e-10 } "binding-potential-energy-per-atom" { "source-value" -41.50045271610148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.649105564215962e-18 } "binding-potential-energy-per-formula" { "source-value" -332.0036217288118 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.319284451372769e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" ] } "parameter-values" { "source-value" [ 1.248172 0.82191596 121.1984 0.47198111 0.53715902 0.18484239 0.53337212 0.41846338 0.0618694 0.56038194 0.80690718 0.34661367 0.52054713 0.69207496 0.1440531 0.39510565 0.91001712 0.15268893 0.84737465 0.55754185 0.20350864 0.6990701 0.89172641 0.11121556 0.76798842 0.21429102 0.29266525 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A5BC2_mP32_14_5e_e_2e" } "stoichiometric-species" { "source-value" [ "H" "N" "O" ] } "a" { "source-value" 2.9677 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.9677e-10 } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "temperature" { "source-value" 0.0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" "x8" "y8" "z8" ] } "parameter-values" { "source-value" [ 1.248172 0.82191596 121.1984 0.47198111 0.53715902 0.18484239 0.53337212 0.41846338 0.0618694 0.56038194 0.80690718 0.34661367 0.52054713 0.69207496 0.1440531 0.39510565 0.91001712 0.15268893 0.84737465 0.55754185 0.20350864 0.6990701 0.89172641 0.11121556 0.76798842 0.21429102 0.29266525 ] } } ]