[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A3BC2_oI12_71_af_b_e" } "stoichiometric-species" { "source-value" [ "Br" "Cs" "Li" ] } "a" { "source-value" 13.8158 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.38158e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x3" "x4" ] } "parameter-values" { "source-value" [ 0.32558375 0.3975376 0.19409858 0.29975488 ] } "library-prototype-label" { "source-value" "AB2C3_oI12_71_b_e_af-001" } "short-name" { "source-value" [ "metal-oxide; Ba1Mn2O3, ICSD #10038" ] } "binding-potential-energy-per-atom" { "source-value" -2.971729279489544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.761235214171802e-19 } "binding-potential-energy-per-formula" { "source-value" -17.830375676937262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.856741128503081e-18 } "coordinates-file" { "source-value" "instance-1.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A3BC2_oI12_71_af_b_e" } "stoichiometric-species" { "source-value" [ "Br" "Cs" "Li" ] } "a" { "source-value" 13.8158 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.38158e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x3" "x4" ] } "parameter-values" { "source-value" [ 0.32558375 0.3975376 0.19409858 0.29975488 ] } "library-prototype-label" { "source-value" "AB2C3_oI12_71_b_e_af-001" } "short-name" { "source-value" [ "metal-oxide; Ba1Mn2O3, ICSD #10038" ] } "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 } "coordinates-file" { "source-value" "instance-2.poscar" } } ]