[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_oC24_35_abdf_de" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 10.598 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.0598e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "z2" "x3" "z3" "x4" "z4" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.61937158 0.33879977 0.15490176 0.65122825 0.83628671 0.62616295 0.77386158 0.12139767 0.76135061 0.47383927 0.14241911 0.70515181 0.15819444 ] } "binding-potential-energy-per-atom" { "source-value" -12.89686706435917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.066305906232044e-18 } "binding-potential-energy-per-formula" { "source-value" -38.69060119307751 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.198917718696131e-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" "A2B_oC24_35_abdf_de" } "stoichiometric-species" { "source-value" [ "O" "Ti" ] } "a" { "source-value" 10.598 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.0598e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "z1" "z2" "x3" "z3" "x4" "z4" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 0.61937158 0.33879977 0.15490176 0.65122825 0.83628671 0.62616295 0.77386158 0.12139767 0.76135061 0.47383927 0.14241911 0.70515181 0.15819444 ] } "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" } } ]