[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_tI48_120_ehi_i" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 9.533 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.533e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.85336201 0.33031619 0.84659849 0.67185486 0.059574986 0.79522543 0.60712944 0.81444811 0.18512619 ] } "binding-potential-energy-per-atom" { "source-value" -19.332694921771317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.097439207591246e-18 } "binding-potential-energy-per-formula" { "source-value" -57.99808476531395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.292317622773738e-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_tI48_120_ehi_i" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 9.533 "source-unit" "angstrom" "si-unit" "m" "si-value" 9.533e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "x3" "y3" "z3" "x4" "y4" "z4" ] } "parameter-values" { "source-value" [ 0.85336201 0.33031619 0.84659849 0.67185486 0.059574986 0.79522543 0.60712944 0.81444811 0.18512619 ] } "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" } } ]