[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3B5_hP16_193_g_dg" } "stoichiometric-species" { "source-value" [ "Si" "Ti" ] } "a" { "source-value" 7.3981 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.398100000000001e-10 } "binding-potential-energy-per-atom" { "source-value" -12.099821850511285 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.938605184445182e-18 } "binding-potential-energy-per-formula" { "source-value" -96.79857480409028 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.550884147556146e-17 } "parameter-names" { "source-value" [ "c/a" "x2" "x3" ] } "parameter-values" { "source-value" [ 0.75492356 0.59539795 0.2425272 ] } "library-prototype-label" { "source-value" "A5B3_hP16_193_dg_g-001" } "short-name" { "source-value" "Mavlyanovite" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A3B5_hP16_193_g_dg" } "stoichiometric-species" { "source-value" [ "Si" "Ti" ] } "a" { "source-value" 7.3981 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.398100000000001e-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" "x2" "x3" ] } "parameter-values" { "source-value" [ 0.75492356 0.59539795 0.2425272 ] } "library-prototype-label" { "source-value" "A5B3_hP16_193_dg_g-001" } "short-name" { "source-value" "Mavlyanovite" } } ]