[ { "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 4.763395071029663 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.763395071029663e-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" -6869450.879552364 "source-unit" "GPa" "source-std-uncert-value" 0.007335941915312013 "si-unit" "kg / m s^2" "si-value" -6869450879552364.0 } "c12" { "source-value" 597.4981770422274 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362514793 "si-unit" "kg / m s^2" "si-value" 597498177042.2274 } "c44" { "source-value" -2576239.616567934 "source-unit" "GPa" "source-std-uncert-value" 0.0018339868776486407 "si-unit" "kg / m s^2" "si-value" -2576239616567934.0 } "excess" { "source-value" 3.9472869417531515e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 3947.286941753151 } } { "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 4.763395071029663 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.763395071029663e-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" -2289418.62773276 "source-unit" "GPa" "source-std-uncert-value" 0.00423540373271361 "si-unit" "kg / m s^2" "si-value" -2289418627732760.0 } } ]