[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB3_tI32_82_g_3g" } "stoichiometric-species" { "source-value" [ "C" "Fe" ] } "a" { "source-value" 8.3953 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.395300000000001e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.51590771 0.30569576 0.014408173 0.41522059 0.97731849 0.36996645 0.027172143 0.74207361 0.19298843 0.20660142 0.13947546 0.96395469 0.72096122 ] } "binding-potential-energy-per-atom" { "source-value" -4.847614671963286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.766734958055152e-19 } "binding-potential-energy-per-formula" { "source-value" -19.390458687853144 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.106693983222061e-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" "AB3_tI32_82_g_3g" } "stoichiometric-species" { "source-value" [ "C" "Fe" ] } "a" { "source-value" 8.3953 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.395300000000001e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.51590771 0.30569576 0.014408173 0.41522059 0.97731849 0.36996645 0.027172143 0.74207361 0.19298843 0.20660142 0.13947546 0.96395469 0.72096122 ] } "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" } } ]