[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "ABC4_tI24_88_a_b_f" } "stoichiometric-species" { "source-value" [ "Ba" "Mo" "O" ] } "a" { "source-value" 5.6898 "source-unit" "angstrom" } "parameter-names" { "source-value" [ "c/a" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 2.2873739 0.88239523 0.48489864 0.70195559 ] } "library-prototype-label" { "source-value" "ABC4_tI24_88_a_b_f-001" } "short-name" { "source-value" [ "BaMoO4, ICSD #50821" ] } "binding-potential-energy-per-atom" { "source-value" -7.47655 "source-unit" "eV" } "binding-potential-energy-per-formula" { "source-value" -44.8593 "source-unit" "eV" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "ABC4_tI24_88_a_b_f" } "stoichiometric-species" { "source-value" [ "Ba" "Mo" "O" ] } "a" { "source-value" 5.6898 "source-unit" "angstrom" } "parameter-names" { "source-value" [ "c/a" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 2.2873739 0.88239523 0.48489864 0.70195559 ] } "library-prototype-label" { "source-value" "ABC4_tI24_88_a_b_f-001" } "short-name" { "source-value" [ "BaMoO4, ICSD #50821" ] } "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" } } { "property-id" "tag:staff@noreply.openkim.org,2025-04-15:property/mass-density-crystal-npt" "instance-id" 3 "prototype-label" { "source-value" "ABC4_tI24_88_a_b_f" } "stoichiometric-species" { "source-value" [ "Ba" "Mo" "O" ] } "a" { "source-value" 5.6898 "source-unit" "angstrom" } "parameter-names" { "source-value" [ "c/a" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 2.2873739 0.88239523 0.48489864 0.70195559 ] } "library-prototype-label" { "source-value" "ABC4_tI24_88_a_b_f-001" } "short-name" { "source-value" [ "BaMoO4, ICSD #50821" ] } "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" } "mass-density" { "source-value" "2.8221967872947666" "source-unit" "amu/angstrom^3" } } ]