[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB3C5_mP36_14_e_3e_5e" } "stoichiometric-species" { "source-value" [ "Cl" "H" "O" ] } "a" { "source-value" 5.0039 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.0039e-10 } "binding-potential-energy-per-atom" { "source-value" -36.76342948467871 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.890150770605888e-18 } "binding-potential-energy-per-formula" { "source-value" -330.87086536210836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.301135693545299e-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" "x9" "y9" "z9" ] } "parameter-values" { "source-value" [ 1.0495014 0.48180419 122.3 0.81795847 0.50054126 0.056468969 0.38298896 0.65856924 0.95630546 0.52252945 0.63756638 0.065620253 0.58736198 0.84016419 0.41198323 0.015043047 0.24270394 0.54363826 0.72384715 0.7002595 0.40797812 0.24255559 0.80009037 0.99537536 0.43499514 0.51758162 0.70681969 0.48333712 0.69124603 0.42745808 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB3C5_mP36_14_e_3e_5e" } "stoichiometric-species" { "source-value" [ "Cl" "H" "O" ] } "a" { "source-value" 5.0039 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.0039e-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" ] } "parameter-values" { "source-value" [ 1.0495014 0.48180419 122.3 0.81795847 0.50054126 0.056468969 0.38298896 0.65856924 0.95630546 0.52252945 0.63756638 0.065620253 0.58736198 0.84016419 0.41198323 0.015043047 0.24270394 0.54363826 0.72384715 0.7002595 0.40797812 0.24255559 0.80009037 0.99537536 0.43499514 0.51758162 0.70681969 0.48333712 0.69124603 0.42745808 ] } } ]