[ { "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" 43.0308 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.30308e-09 } "parameter-names" { "source-value" [ "x2" "y3" "z3" ] } "parameter-values" { "source-value" [ 0.68291434 0.30985365 0.11623373 ] } "library-prototype-label" { "source-value" "A_cP46_223_dik-001" } "short-name" { "source-value" [ "Si46 Clathrate" ] } "binding-potential-energy-per-atom" { "source-value" -1.1584935909132068e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.856111361999895e-35 } "binding-potential-energy-per-formula" { "source-value" -1.1584935909132068e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.856111361999895e-35 } "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" "A_cP46_223_cik" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 43.0308 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.30308e-09 } "parameter-names" { "source-value" [ "x2" "y3" "z3" ] } "parameter-values" { "source-value" [ 0.68291434 0.30985365 0.11623373 ] } "library-prototype-label" { "source-value" "A_cP46_223_dik-001" } "short-name" { "source-value" [ "Si46 Clathrate" ] } "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" } } ]