[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A14B19_hR66_167_b2cef_2ce2f" } "stoichiometric-species" { "source-value" [ "Ca" "Si" ] } "a" { "source-value" 16.063224 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.6063224e-09 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" "x4" "x5" "x6" "x7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" ] } "parameter-values" { "source-value" [ 8.8429188 0.43710061 0.39541112 0.35719019 0.3154055 0.4271815 0.73376051 0.66667412 0.0076680523 0.34331699 0.78388302 0.26162507 0.051946546 0.50698309 0.82522395 0.010241803 ] } "binding-potential-energy-per-atom" { "source-value" -14.381248618471862 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.30413005042604e-18 } "binding-potential-energy-per-formula" { "source-value" -474.58120440957146 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.603629166405931e-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" "A14B19_hR66_167_b2cef_2ce2f" } "stoichiometric-species" { "source-value" [ "Ca" "Si" ] } "a" { "source-value" 16.063224 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.6063224e-09 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" "x4" "x5" "x6" "x7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" ] } "parameter-values" { "source-value" [ 8.8429188 0.43710061 0.39541112 0.35719019 0.3154055 0.4271815 0.73376051 0.66667412 0.0076680523 0.34331699 0.78388302 0.26162507 0.051946546 0.50698309 0.82522395 0.010241803 ] } "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" } } ]