[ { "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" [ "Se" "Se" "Se" "Se" ] } "a" { "source-value" 4.644660174846649 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.644660174846649e-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" 38.480345606392724 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724870834 "si-unit" "kg / m s^2" "si-value" 38480345606.39272 } "c12" { "source-value" 92.78482161673344 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636193346 "si-unit" "kg / m s^2" "si-value" 92784821616.73344 } "c44" { "source-value" -2.3504091601905435 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812058665 "si-unit" "kg / m s^2" "si-value" -2350409160.190544 } "excess" { "source-value" 2.627527824946783e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2.627527824946783 } } { "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" [ "Se" "Se" "Se" "Se" ] } "a" { "source-value" 4.644660174846649 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.644660174846649e-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" 74.68332961328653 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578794669 "si-unit" "kg / m s^2" "si-value" 74683329613.28653 } } ]