[ { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/binding-energy-crystal" "instance-id" 1 "prototype-label" { "source-value" "A2B_tP96_127_fg2jk2l_jkl" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 16.014 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.6014e-09 } "binding-potential-energy-per-atom" { "source-value" -13.479266200794621 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.159616535037909e-18 } "binding-potential-energy-per-formula" { "source-value" -40.437798602383864 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.478849605113728e-18 } "parameter-names" { "source-value" [ "c/a" "z1" "x2" "x3" "y3" "x4" "y4" "x5" "y5" "x6" "z6" "x7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" ] } "parameter-values" { "source-value" [ 0.62633945 0.17636034 0.91438157 0.3213013 0.046104914 0.046916239 0.10595878 0.13120826 0.050894436 0.82017744 0.34941639 0.92921655 0.15755453 0.34242296 0.042624335 0.23239816 0.19001326 0.071491145 0.36984087 0.29004273 0.082011585 0.35507669 ] } } { "property-id" "tag:staff@noreply.openkim.org,2023-02-21:property/crystal-structure-npt" "instance-id" 2 "prototype-label" { "source-value" "A2B_tP96_127_fg2jk2l_jkl" } "stoichiometric-species" { "source-value" [ "O" "Si" ] } "a" { "source-value" 16.014 "source-unit" "angstrom" "si-unit" "m" "si-value" 1.6014e-09 } "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 } "parameter-names" { "source-value" [ "c/a" "z1" "x2" "x3" "y3" "x4" "y4" "x5" "y5" "x6" "z6" "x7" "z7" "x8" "y8" "z8" "x9" "y9" "z9" "x10" "y10" "z10" ] } "parameter-values" { "source-value" [ 0.62633945 0.17636034 0.91438157 0.3213013 0.046104914 0.046916239 0.10595878 0.13120826 0.050894436 0.82017744 0.34941639 0.92921655 0.15755453 0.34242296 0.042624335 0.23239816 0.19001326 0.071491145 0.36984087 0.29004273 0.082011585 0.35507669 ] } } ]