[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A5B2_oP14_59_a2e_e" } "stoichiometric-species" { "source-value" [ "O" "V" ] } "a" { "source-value" 3.6158 "source-unit" "angstrom" } "binding-potential-energy-per-atom" { "source-value" -7.61596 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -53.31172 "source-unit" "eV" } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "y2" "z2" "y3" "z3" "y4" "z4" ] } "parameter-values" { "source-value" [ 3.2026384 1.2741855 0.98751916 0.10253917 0.53364283 0.93204682 0.013082897 0.10011366 0.88233312 ] } "library-prototype-label" { "source-value" "A5B2_oP14_59_a2e_e-001" } "short-name" { "source-value" "O5V2, ICSD #60767" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A5B2_oP14_59_a2e_e" } "stoichiometric-species" { "source-value" [ "O" "V" ] } "a" { "source-value" 3.6158 "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" "z1" "y2" "z2" "y3" "z3" "y4" "z4" ] } "parameter-values" { "source-value" [ 3.2026384 1.2741855 0.98751916 0.10253917 0.53364283 0.93204682 0.013082897 0.10011366 0.88233312 ] } "library-prototype-label" { "source-value" "A5B2_oP14_59_a2e_e-001" } "short-name" { "source-value" "O5V2, ICSD #60767" } } ]