[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" 4.080053400993348 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080053400993348e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" 190.7223492553284 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725118821 "si-unit" "kg / m s^2" "si-value" 190722349255.3284 } "c12" { "source-value" 157.35905173212132 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362007838 "si-unit" "kg / m s^2" "si-value" 157359051732.1213 } "c44" { "source-value" 44.92679773079942 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812752195 "si-unit" "kg / m s^2" "si-value" 44926797730.79942 } "excess" { "source-value" 0.02698480120837253 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091331 "si-unit" "kg / m s^2" "si-value" 26984801.20837253 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" 4.080053400993348 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080053400993348e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" 168.48015090652365 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578882881 "si-unit" "kg / m s^2" "si-value" 168480150906.5237 } } ]