[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B2C7D_tP24_113_e_e_cef_a" } "stoichiometric-species" { "source-value" [ "Al" "Ca" "O" "Si" ] } "a" { "source-value" 7.6886 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.688600000000001e-10 } "parameter-names" { "source-value" [ "c/a" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.65627032 0.83037237 0.1448134 0.94583289 0.34543699 0.52276578 0.14873159 0.27783726 0.15266186 0.088742567 0.16995627 ] } "binding-potential-energy-per-atom" { "source-value" -12.929623080202225 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.071553998552711e-18 } "binding-potential-energy-per-formula" { "source-value" -155.1554769624267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.485864798263253e-17 } "coordinates-file" { "source-value" "instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B2C7D_tP24_113_e_e_cef_a" } "stoichiometric-species" { "source-value" [ "Al" "Ca" "O" "Si" ] } "a" { "source-value" 7.6886 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.688600000000001e-10 } "parameter-names" { "source-value" [ "c/a" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.65627032 0.83037237 0.1448134 0.94583289 0.34543699 0.52276578 0.14873159 0.27783726 0.15266186 0.088742567 0.16995627 ] } "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 } "coordinates-file" { "source-value" "instance-2.poscar" } } ]