[ { "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 3.534113816916943 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.534113816916943e-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" 245.52506417964733 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725208089 "si-unit" "kg / m s^2" "si-value" 245525064179.6473 } "c12" { "source-value" 173.45665704367767 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362026379 "si-unit" "kg / m s^2" "si-value" 173456657043.6777 } "c44" { "source-value" 149.35288422360762 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814453195 "si-unit" "kg / m s^2" "si-value" 149352884223.6076 } "excess" { "source-value" 0.3182378086978815 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913478 "si-unit" "kg / m s^2" "si-value" 318237808.6978815 } } { "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 3.534113816916943 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.534113816916943e-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" 197.47945942233423 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578910152 "si-unit" "kg / m s^2" "si-value" 197479459422.3342 } } ]