[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB4C4D2_oF176_43_b_4b_4b_2b" } "stoichiometric-species" { "source-value" [ "C" "H" "N" "O" ] } "a" { "source-value" 21.5599 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.15599e-09 } "binding-potential-energy-per-atom" { "source-value" -4.235441454642466 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.785925333303129e-19 } "binding-potential-energy-per-formula" { "source-value" -46.58985600106712 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.464517866633442e-18 } "parameter-names" { "source-value" [ "b/a" "c/a" "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" [ 0.90927602 0.17281156 0.14965235 0.5304738 0.85270211 0.24770645 0.53245271 0.99801499 0.18793029 0.43989126 0.064672322 0.086179452 0.45329367 0.85923861 0.057360872 0.55095525 0.68168618 0.19739232 0.49537887 0.98322564 0.091675901 0.50440676 0.80408331 0.15823576 0.59804973 0.75494563 0.18467783 0.63461906 0.5595515 0.76374305 0.60482726 0.57593828 0.047915202 0.62644915 0.57747767 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB4C4D2_oF176_43_b_4b_4b_2b" } "stoichiometric-species" { "source-value" [ "C" "H" "N" "O" ] } "a" { "source-value" 21.5599 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.15599e-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" "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" [ 0.90927602 0.17281156 0.14965235 0.5304738 0.85270211 0.24770645 0.53245271 0.99801499 0.18793029 0.43989126 0.064672322 0.086179452 0.45329367 0.85923861 0.057360872 0.55095525 0.68168618 0.19739232 0.49537887 0.98322564 0.091675901 0.50440676 0.80408331 0.15823576 0.59804973 0.75494563 0.18467783 0.63461906 0.5595515 0.76374305 0.60482726 0.57593828 0.047915202 0.62644915 0.57747767 ] } } ]