[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B_hP8_194_h_c" } "stoichiometric-species" { "source-value" [ "Ni" "Zr" ] } "a" { "source-value" 5.2026 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.2026e-10 } "parameter-names" { "source-value" [ "c/a" "x2" ] } "parameter-values" { "source-value" [ 0.84986353 0.83545026 ] } "library-prototype-label" { "source-value" "A3B_hP8_194_h_c-001" } "short-name" { "source-value" [ "Ni3Sn" ] } "binding-potential-energy-per-atom" { "source-value" -5.339499616637438 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55482152302846e-19 } "binding-potential-energy-per-formula" { "source-value" -21.357998466549752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.421928609211384e-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" "A3B_hP8_194_h_c" } "stoichiometric-species" { "source-value" [ "Ni" "Zr" ] } "a" { "source-value" 5.2026 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.2026e-10 } "parameter-names" { "source-value" [ "c/a" "x2" ] } "parameter-values" { "source-value" [ 0.84986353 0.83545026 ] } "library-prototype-label" { "source-value" "A3B_hP8_194_h_c-001" } "short-name" { "source-value" [ "Ni3Sn" ] } "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" } } ]