[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_oF96_70_c2ef_h" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 22.8154 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.28154e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x2" "x3" "y4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.43987394 0.2597237 0.075001677 0.46522121 0.34661765 0.05644633 0.78185883 0.59163167 ] } "binding-potential-energy-per-atom" { "source-value" -5.988998143497288 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.595432886580734e-19 } "binding-potential-energy-per-formula" { "source-value" -17.966994430491866 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.87862986597422e-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_oF96_70_c2ef_h" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 22.8154 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.28154e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x2" "x3" "y4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.43987394 0.2597237 0.075001677 0.46522121 0.34661765 0.05644633 0.78185883 0.59163167 ] } "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" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 3 "prototype-label" { "source-value" "A2B_oF96_70_c2ef_h" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 20.9486 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.09486e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x2" "x3" "y4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.74733395 0.23396313 0.31548906 0.78459134 0.2684729 0.802444 0.063100413 0.87104721 ] } "binding-potential-energy-per-atom" { "source-value" -6.3826947344230165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.022620436544739e-18 } "binding-potential-energy-per-formula" { "source-value" -19.14808420326905 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.067861309634218e-18 } "coordinates-file" { "source-value" "instance-3.poscar" } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 4 "prototype-label" { "source-value" "A2B_oF96_70_c2ef_h" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 20.9486 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.09486e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "x2" "x3" "y4" "x5" "y5" "z5" ] } "parameter-values" { "source-value" [ 0.74733395 0.23396313 0.31548906 0.78459134 0.2684729 0.802444 0.063100413 0.87104721 ] } "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-4.poscar" } } ]