[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_cP12_205_c_a" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 4.7161 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.7161e-10 } "parameter-names" { "source-value" [ "x2" ] } "parameter-values" { "source-value" [ 0.41035954 ] } "library-prototype-label" { "source-value" "AB2_cP12_205_a_c-002" } "short-name" { "source-value" [ "binary oxide (R. Friedrich), ICSD #87178" ] } "binding-potential-energy-per-atom" { "source-value" -5.704615117962298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.139801047962347e-19 } "binding-potential-energy-per-formula" { "source-value" -17.113845353886894 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.741940314388704e-18 } "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" "A2B_cP12_205_c_a" } "stoichiometric-species" { "source-value" [ "C" "Si" ] } "a" { "source-value" 4.7161 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.7161e-10 } "parameter-names" { "source-value" [ "x2" ] } "parameter-values" { "source-value" [ 0.41035954 ] } "library-prototype-label" { "source-value" "AB2_cP12_205_a_c-002" } "short-name" { "source-value" [ "binary oxide (R. Friedrich), ICSD #87178" ] } "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" } } ]