[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A5B3C3_mP44_14_5e_3e_3e" } "stoichiometric-species" { "source-value" [ "H" "N" "O" ] } "a" { "source-value" 5.8584 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.8584e-10 } "binding-potential-energy-per-atom" { "source-value" -3.2990523363136033 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.285664567584764e-19 } "binding-potential-energy-per-formula" { "source-value" -36.289575699449635 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.814231024343241e-18 } "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" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 0.84164618 2.1988427 89.2163 0.27493428 0.43691044 0.25217692 0.48311156 0.62811829 0.25360445 0.72775211 0.13861848 0.064693817 0.58969738 0.97734852 0.14749953 0.48028478 0.08482628 0.04763814 0.43067461 0.45157438 0.27523923 0.61567196 0.99974633 0.068725294 0.92593121 0.84412559 0.40671989 0.070632267 0.97598564 0.34236194 0.88536268 0.55315723 0.37319601 0.73131692 0.97571896 0.43231507 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A5B3C3_mP44_14_5e_3e_3e" } "stoichiometric-species" { "source-value" [ "H" "N" "O" ] } "a" { "source-value" 5.8584 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.8584e-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" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 0.84164618 2.1988427 89.2163 0.27493428 0.43691044 0.25217692 0.48311156 0.62811829 0.25360445 0.72775211 0.13861848 0.064693817 0.58969738 0.97734852 0.14749953 0.48028478 0.08482628 0.04763814 0.43067461 0.45157438 0.27523923 0.61567196 0.99974633 0.068725294 0.92593121 0.84412559 0.40671989 0.070632267 0.97598564 0.34236194 0.88536268 0.55315723 0.37319601 0.73131692 0.97571896 0.43231507 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "A5B3C3_mP44_14_5e_3e_3e" } "stoichiometric-species" { "source-value" [ "H" "N" "O" ] } "a" { "source-value" 12.6444 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.26444e-09 } "binding-potential-energy-per-atom" { "source-value" -3.2628505569614408 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.227662922597506e-19 } "binding-potential-energy-per-formula" { "source-value" -35.89135612657585 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.750429214857257e-18 } "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" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 0.43834425 1.1344469 154.7833 0.14640438 0.04141732 0.97891806 0.87950099 0.15372615 0.76621436 0.934799 0.91951035 0.75525532 0.099659803 0.1696503 0.72592945 0.31198785 0.28107192 0.95640503 0.0076386253 0.085657655 0.82853585 0.13457615 0.25042328 0.81240963 0.26427807 0.74766651 0.68237819 0.36924516 0.80376185 0.68382247 0.33717157 0.49377378 0.77444041 0.28529697 0.91445516 0.76649996 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "A5B3C3_mP44_14_5e_3e_3e" } "stoichiometric-species" { "source-value" [ "H" "N" "O" ] } "a" { "source-value" 12.6444 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.26444e-09 } "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" "x9" "y9" "z9" "x10" "y10" "z10" "x11" "y11" "z11" ] } "parameter-values" { "source-value" [ 0.43834425 1.1344469 154.7833 0.14640438 0.04141732 0.97891806 0.87950099 0.15372615 0.76621436 0.934799 0.91951035 0.75525532 0.099659803 0.1696503 0.72592945 0.31198785 0.28107192 0.95640503 0.0076386253 0.085657655 0.82853585 0.13457615 0.25042328 0.81240963 0.26427807 0.74766651 0.68237819 0.36924516 0.80376185 0.68382247 0.33717157 0.49377378 0.77444041 0.28529697 0.91445516 0.76649996 ] } } ]