[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_tP12_92_b_a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 4.9746 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.9746e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.3488723 0.31026869 0.23620717 0.11688119 0.18415609 ] } "library-prototype-label" { "source-value" "A2B_tP12_92_b_a-001" } "short-name" { "source-value" [ "alpha-Cristobalite" ] } "binding-potential-energy-per-atom" { "source-value" -7.63945911744275 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.223976289436503e-18 } "binding-potential-energy-per-formula" { "source-value" -22.91837735232825 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.67192886830951e-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_tP12_92_b_a" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 4.9746 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.9746e-10 } "parameter-names" { "source-value" [ "c/a" "x1" "x2" "y2" "z2" ] } "parameter-values" { "source-value" [ 1.3488723 0.31026869 0.23620717 0.11688119 0.18415609 ] } "library-prototype-label" { "source-value" "A2B_tP12_92_b_a-001" } "short-name" { "source-value" [ "alpha-Cristobalite" ] } "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" } } ]