[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A4BC7_mC48_15_2f_e_e3f" } "stoichiometric-species" { "source-value" [ "Al" "Ca" "O" ] } "a" { "source-value" 11.3975 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.13975e-09 } "binding-potential-energy-per-atom" { "source-value" -20.810486706798812 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.334207554380067e-18 } "binding-potential-energy-per-formula" { "source-value" -249.72584048158575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.00104906525608e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "y1" "y2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" ] } "parameter-values" { "source-value" [ 0.68219346 1.0725685 164.7129 0.38351198 0.74516098 0.15465949 0.85481746 0.12699142 0.055311883 0.64286745 0.43228069 0.16913077 0.54179359 0.1316471 0.029958102 0.035199417 0.91847353 0.16758237 0.14015093 0.9643954 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A4BC7_mC48_15_2f_e_e3f" } "stoichiometric-species" { "source-value" [ "Al" "Ca" "O" ] } "a" { "source-value" 11.3975 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.13975e-09 } "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" [ "b/a" "c/a" "beta" "y1" "y2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" ] } "parameter-values" { "source-value" [ 0.68219346 1.0725685 164.7129 0.38351198 0.74516098 0.15465949 0.85481746 0.12699142 0.055311883 0.64286745 0.43228069 0.16913077 0.54179359 0.1316471 0.029958102 0.035199417 0.91847353 0.16758237 0.14015093 0.9643954 ] } } ]