[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Se" "Se" ] } "a" { "source-value" 2.641651250422001 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.641651250422001e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 3324.122099040753 "source-unit" "GPa" "source-std-uncert-value" 0.007335930730222828 "si-unit" "kg / m s^2" "si-value" 3324122099040.753 } "c12" { "source-value" 4058.5867040106823 "source-unit" "GPa" "source-std-uncert-value" 0.005187286366501305 "si-unit" "kg / m s^2" "si-value" 4058586704010.682 } "c44" { "source-value" 4063.0619111926994 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826878203754 "si-unit" "kg / m s^2" "si-value" 4063061911192.699 } "excess" { "source-value" 2.179298096649998 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809145495 "si-unit" "kg / m s^2" "si-value" 2179298096.649998 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Se" "Se" ] } "a" { "source-value" 2.641651250422001 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.641651250422001e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 3813.765169020706 "source-unit" "GPa" "source-std-uncert-value" 0.004235401582311081 "si-unit" "kg / m s^2" "si-value" 3813765169020.706 } } ]