[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB_hP12_189_fg_eh" } "stoichiometric-species" { "source-value" [ "Na" "O" ] } "a" { "source-value" 6.0314 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.031399999999999e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "x2" "x3" "z4" ] } "parameter-values" { "source-value" [ 0.74279603 0.14672602 0.37950361 0.7129615 0.34994137 ] } "library-prototype-label" { "source-value" "AB_hP12_189_fg_eh-001" } "short-name" { "source-value" [ "NaO, ICSD #25526" ] } "binding-potential-energy-per-atom" { "source-value" -10.59796439104758 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.697981091530047e-18 } "binding-potential-energy-per-formula" { "source-value" -21.19592878209516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.395962183060094e-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" "AB_hP12_189_fg_eh" } "stoichiometric-species" { "source-value" [ "Na" "O" ] } "a" { "source-value" 6.0314 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.031399999999999e-10 } "parameter-names" { "source-value" [ "c/a" "z1" "x2" "x3" "z4" ] } "parameter-values" { "source-value" [ 0.74279603 0.14672602 0.37950361 0.7129615 0.34994137 ] } "library-prototype-label" { "source-value" "AB_hP12_189_fg_eh-001" } "short-name" { "source-value" [ "NaO, ICSD #25526" ] } "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" } } ]