[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" 5.996666043996812 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.996666043996813e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 47.35392625548088 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724885286 "si-unit" "kg / m s^2" "si-value" 47353926255.48088 } "c12" { "source-value" 42.29229536002287 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361875301 "si-unit" "kg / m s^2" "si-value" 42292295360.02287 } "c44" { "source-value" 3.0335695218419008 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812069791 "si-unit" "kg / m s^2" "si-value" 3033569521.841901 } "excess" { "source-value" 5.486722187698732e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 5486.722187698732 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" 5.996666043996812 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.996666043996813e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 43.97950565850887 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578765793 "si-unit" "kg / m s^2" "si-value" 43979505658.50887 } } ]