[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_mP12_4_4a_2a" } "stoichiometric-species" { "source-value" [ "H" "O" ] } "a" { "source-value" 3.9206 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.9206e-10 } "binding-potential-energy-per-atom" { "source-value" -3.7375695793500676 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.988246647983886e-19 } "binding-potential-energy-per-formula" { "source-value" -11.212708738050203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.796473994395166e-18 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.090981 1.0872826 82.8658 0.81843226 0.90572425 0.19315547 0.0038374981 0.33385085 0.32421534 0.43559992 0.13353731 0.95904539 0.59679218 0.33125226 0.44840612 0.8095032 0.21217378 0.43884784 0.29722156 0.33346156 0.99572127 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_mP12_4_4a_2a" } "stoichiometric-species" { "source-value" [ "H" "O" ] } "a" { "source-value" 3.9206 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.9206e-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" "beta" "x1" "y1" "z1" "x2" "y2" "z2" "x3" "y3" "z3" "x4" "y4" "z4" "x5" "y5" "z5" "x6" "y6" "z6" ] } "parameter-values" { "source-value" [ 1.090981 1.0872826 82.8658 0.81843226 0.90572425 0.19315547 0.0038374981 0.33385085 0.32421534 0.43559992 0.13353731 0.95904539 0.59679218 0.33125226 0.44840612 0.8095032 0.21217378 0.43884784 0.29722156 0.33346156 0.99572127 ] } } ]