[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A_oC92_63_ce2f2g3h" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 16.47 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.647e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "x2" "y3" "z3" "y4" "z4" "x5" "y5" "x6" "y6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" ] } "parameter-values" { "source-value" [ 0.78463267 0.60409229 0.14406854 0.39800732 0.75313294 0.55941049 0.58116684 0.62964884 0.61640646 0.5425034 0.92861805 0.87110509 0.12152616 0.78734637 0.44076517 0.1748357 0.62483194 0.37086461 0.30694799 0.580281 0.44204025 ] } "binding-potential-energy-per-atom" { "source-value" -4.5328272162414525 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.26238985182132e-19 } "binding-potential-energy-per-formula" { "source-value" -4.5328272162414525 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.26238985182132e-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_oC92_63_ce2f2g3h" } "stoichiometric-species" { "source-value" [ "Si" ] } "a" { "source-value" 16.47 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.647e-09 } "parameter-names" { "source-value" [ "b/a" "c/a" "y1" "x2" "y3" "z3" "y4" "z4" "x5" "y5" "x6" "y6" "x7" "y7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" ] } "parameter-values" { "source-value" [ 0.78463267 0.60409229 0.14406854 0.39800732 0.75313294 0.55941049 0.58116684 0.62964884 0.61640646 0.5425034 0.92861805 0.87110509 0.12152616 0.78734637 0.44076517 0.1748357 0.62483194 0.37086461 0.30694799 0.580281 0.44204025 ] } "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" } } ]