[ { "short-name" { "source-value" [ "bcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 4.45777319372e-10 "source-value" 4.45777319372 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 15712028837.2 "source-std-uncert-value" 0.0018339826812276314 "source-value" 15.71202883723342 } "space-group" { "source-value" "Im-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 34507180.3539 "source-std-uncert-value" 0.0025936431809133144 "source-value" 0.034507180353886016 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 15642911592.4 "source-std-uncert-value" 0.0051872863618446065 "source-value" 15.642911592435516 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 19039482581.2 "source-std-uncert-value" 0.007335930724839165 "source-value" 19.03948258119989 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ca" "Ca" ] } "instance-id" 1 } { "short-name" { "source-value" [ "bcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 4.45777319372e-10 "source-value" 4.45777319372 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 16775101922.0 "source-std-uncert-value" 0.004235401578740208 "source-value" 16.77510192202364 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Im-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ca" "Ca" ] } "instance-id" 2 } ]