[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_tP28_136_f2ij" } "stoichiometric-species" { "source-value" [ "Fe" ] } "a" { "source-value" 8.7311 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.7311e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "x3" "y3" "x4" "z4" ] } "parameter-values" { "source-value" [ 0.53662196 0.40072625 0.46929481 0.1323093 0.75123166 0.054569093 0.18976701 0.25270658 ] } "binding-potential-energy-per-atom" { "source-value" -4.137268326028312 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.628634640550855e-19 } "binding-potential-energy-per-formula" { "source-value" -4.137268326028312 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.628634640550855e-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_tP28_136_f2ij" } "stoichiometric-species" { "source-value" [ "Fe" ] } "a" { "source-value" 8.7311 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.7311e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "x3" "y3" "x4" "z4" ] } "parameter-values" { "source-value" [ 0.53662196 0.40072625 0.46929481 0.1323093 0.75123166 0.054569093 0.18976701 0.25270658 ] } "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" } } ]