[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_mC16_12_2ij" } "stoichiometric-species" { "source-value" [ "O" ] } "a" { "source-value" 17.8191 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.78191e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.1996285 0.48566426 134.987 0.25026128 0.42937439 0.23351095 0.54266632 0.50831934 0.24131732 0.94325841 ] } "binding-potential-energy-per-atom" { "source-value" -2.557999990089479 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.098367813893595e-19 } "binding-potential-energy-per-formula" { "source-value" -2.557999990089479 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.098367813893595e-19 } "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" "A_mC16_12_2ij" } "stoichiometric-species" { "source-value" [ "O" ] } "a" { "source-value" 17.8191 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.78191e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "beta" "x1" "z1" "x2" "z2" "x3" "y3" "z3" ] } "parameter-values" { "source-value" [ 1.1996285 0.48566426 134.987 0.25026128 0.42937439 0.23351095 0.54266632 0.50831934 0.24131732 0.94325841 ] } "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" } } ]