[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A5B4_hR18_161_2ab_ab" } "stoichiometric-species" { "source-value" [ "C" "N" ] } "a" { "source-value" 9.1479498 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.1479498e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" "x4" "y4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.2820977 0.005031811 0.88402626 0.77121996 0.19060222 0.045603174 0.89898693 0.31549619 0.12580215 0.75962178 ] } "binding-potential-energy-per-atom" { "source-value" -6.073202494107938 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.73034312961026e-19 } "binding-potential-energy-per-formula" { "source-value" -54.65882244697144 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.757308816649234e-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" "A5B4_hR18_161_2ab_ab" } "stoichiometric-species" { "source-value" [ "C" "N" ] } "a" { "source-value" 9.1479498 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.1479498e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" "x4" "y4" "z4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 1.2820977 0.005031811 0.88402626 0.77121996 0.19060222 0.045603174 0.89898693 0.31549619 0.12580215 0.75962178 ] } "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" } } ]