[ { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 5.854063376784325 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.854063376784325e-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" 612.0647097242154 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725805146 "si-unit" "kg / m s^2" "si-value" 612064709724.2153 } "c12" { "source-value" 528.5188378395587 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362435342 "si-unit" "kg / m s^2" "si-value" 528518837839.5587 } "c44" { "source-value" 124.38008246287677 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814046413 "si-unit" "kg / m s^2" "si-value" 124380082462.8768 } "excess" { "source-value" 0.1964187582952052 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134076 "si-unit" "kg / m s^2" "si-value" 196418758.2952052 } } { "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 5.854063376784325 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.854063376784325e-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" 556.367461801111 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579247668 "si-unit" "kg / m s^2" "si-value" 556367461801.111 } } ]