[ { "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" 4.080053472518922 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080053472518922e-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" 186.35413812444153 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725111706 "si-unit" "kg / m s^2" "si-value" 186354138124.4415 } "c12" { "source-value" 157.34032661111198 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620078145 "si-unit" "kg / m s^2" "si-value" 157340326611.112 } "c44" { "source-value" 42.072149484715766 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812705697 "si-unit" "kg / m s^2" "si-value" 42072149484.71577 } "excess" { "source-value" 1.7763568394006415e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1.776356839400641 } } { "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" 4.080053472518922 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080053472518922e-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" 167.01159711555516 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578881498 "si-unit" "kg / m s^2" "si-value" 167011597115.5552 } } ]