[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_cP46_223_cik" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 10.1551 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.01551e-09 } "binding-potential-energy-per-atom" { "source-value" -4.559926102385034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.305807054007992e-19 } "binding-potential-energy-per-formula" { "source-value" -4.559926102385034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.305807054007992e-19 } "parameter-names" { "source-value" [ "x2" "y3" "z3" ] } "parameter-values" { "source-value" [ 0.68383184 0.30717898 0.11732996 ] } "library-prototype-label" { "source-value" "A_cP46_223_dik-001" } "short-name" { "source-value" "Si46 Clathrate" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A_cP46_223_cik" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 10.1551 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.01551e-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" [ "x2" "y3" "z3" ] } "parameter-values" { "source-value" [ 0.68383184 0.30717898 0.11732996 ] } "library-prototype-label" { "source-value" "A_cP46_223_dik-001" } "short-name" { "source-value" "Si46 Clathrate" } } ]