[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B_oC16_63_cf_c" } "stoichiometric-species" { "source-value" [ "Ca" "Zn" ] } "a" { "source-value" 4.0607 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -1.70613 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -6.82452 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "y2" "y3" "z3" ] } "parameter-values" { "source-value" [ 3.2916246 2.4897924 0.43210679 0.75248635 0.85899044 0.93985616 ] } "library-prototype-label" { "source-value" "AB3_oC16_63_c_cf-001" } "short-name" { "source-value" "metal-boride; B1Re3, ICSD #43662" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A3B_oC16_63_cf_c" } "stoichiometric-species" { "source-value" [ "Ca" "Zn" ] } "a" { "source-value" 4.0607 "source-unit" "angstrom" } "cell-cauchy-stress" { "source-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-unit" "eV/angstrom^3" } "temperature" { "source-value" 0.0 "source-unit" "K" } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "y2" "y3" "z3" ] } "parameter-values" { "source-value" [ 3.2916246 2.4897924 0.43210679 0.75248635 0.85899044 0.93985616 ] } "library-prototype-label" { "source-value" "AB3_oC16_63_c_cf-001" } "short-name" { "source-value" "metal-boride; B1Re3, ICSD #43662" } } ]