[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_hP12_194_ah_f" } "stoichiometric-species" { "source-value" [ "Re" "W" ] } "a" { "source-value" 5.154 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.154e-10 } "binding-potential-energy-per-atom" { "source-value" -8.041989916800603 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.288468833556153e-18 } "binding-potential-energy-per-formula" { "source-value" -24.125969750401808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.865406500668459e-18 } "parameter-names" { "source-value" [ "c/a" "z2" "x3" ] } "parameter-values" { "source-value" [ 1.6240978 0.063679568 0.83076241 ] } "library-prototype-label" { "source-value" "AB2_hP12_194_f_ah-001" } "short-name" { "source-value" "MgZn2 Hexagonal Laves" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_hP12_194_ah_f" } "stoichiometric-species" { "source-value" [ "Re" "W" ] } "a" { "source-value" 5.154 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.154e-10 } "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 } "parameter-names" { "source-value" [ "c/a" "z2" "x3" ] } "parameter-values" { "source-value" [ 1.6240978 0.063679568 0.83076241 ] } "library-prototype-label" { "source-value" "AB2_hP12_194_f_ah-001" } "short-name" { "source-value" "MgZn2 Hexagonal Laves" } } ]