[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "AB3C5_oP36_62_c_cd_3cd" } "stoichiometric-species" { "source-value" [ "Cl" "H" "O" ] } "a" { "source-value" 2.6025 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.6025e-10 } "binding-potential-energy-per-atom" { "source-value" -34.35647123759615 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.504513544356961e-18 } "binding-potential-energy-per-formula" { "source-value" -309.2082411383654 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.954062189921265e-17 } "parameter-names" { "source-value" [ "b/a" "c/a" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" ] } "parameter-values" { "source-value" [ 0.94243996 3.7293756 0.61110299 0.68013043 0.49179904 0.50560993 0.11540677 0.5893177 0.54677047 0.12294766 0.58569211 0.41222453 0.55834488 0.62340914 0.44266279 0.7633244 0.0020259523 0.5194909 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "AB3C5_oP36_62_c_cd_3cd" } "stoichiometric-species" { "source-value" [ "Cl" "H" "O" ] } "a" { "source-value" 2.6025 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.6025e-10 } "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" "x1" "z1" "x2" "z2" "x3" "z3" "x4" "z4" "x5" "z5" "x6" "y6" "z6" "x7" "y7" "z7" ] } "parameter-values" { "source-value" [ 0.94243996 3.7293756 0.61110299 0.68013043 0.49179904 0.50560993 0.11540677 0.5893177 0.54677047 0.12294766 0.58569211 0.41222453 0.55834488 0.62340914 0.44266279 0.7633244 0.0020259523 0.5194909 ] } } ]