[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_hR16_167_cf" } "stoichiometric-species" { "source-value" [ "N" ] } "a" { "source-value" 10.142313 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.0142313e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.3507514 0.040511902 0.54135365 0.22675198 0.05885844 ] } "binding-potential-energy-per-atom" { "source-value" -4.954999999999999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.938785221469998e-19 } "binding-potential-energy-per-formula" { "source-value" -4.954999999999999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.938785221469998e-19 } "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_hR16_167_cf" } "stoichiometric-species" { "source-value" [ "N" ] } "a" { "source-value" 10.142313 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.0142313e-09 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.3507514 0.040511902 0.54135365 0.22675198 0.05885844 ] } "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" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "A_hR16_167_cf" } "stoichiometric-species" { "source-value" [ "N" ] } "a" { "source-value" 9.8146043 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.814604299999999e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.3690337 0.041305575 0.22705102 0.06018744 0.54308217 ] } "binding-potential-energy-per-atom" { "source-value" -4.954999999999999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.938785221469998e-19 } "binding-potential-energy-per-formula" { "source-value" -4.954999999999999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.938785221469998e-19 } "coordinates-file" { "source-value" "instance-3.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "A_hR16_167_cf" } "stoichiometric-species" { "source-value" [ "N" ] } "a" { "source-value" 9.8146043 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.814604299999999e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.3690337 0.041305575 0.22705102 0.06018744 0.54308217 ] } "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-4.poscar" } } ]