[ { "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" 5.681368768215179 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.68136876821518e-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" -1835776.9423040077 "source-unit" "GPa" "source-std-uncert-value" 0.007335933715126742 "si-unit" "kg / m s^2" "si-value" -1835776942304008.0 } "c12" { "source-value" 27.15612478621553 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361877026 "si-unit" "kg / m s^2" "si-value" 27156124786.21553 } "c44" { "source-value" -688417.7855442944 "source-unit" "GPa" "source-std-uncert-value" 0.0018339838025684119 "si-unit" "kg / m s^2" "si-value" -688417785544294.4 } "excess" { "source-value" 241.57443169346016 "source-unit" "GPa" "source-std-uncert-value" 0.002593643181052418 "si-unit" "kg / m s^2" "si-value" 241574431693.4601 } } { "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" 5.681368768215179 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.68136876821518e-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" -611907.5433514784 "source-unit" "GPa" "source-std-uncert-value" 0.004235402154239046 "si-unit" "kg / m s^2" "si-value" -611907543351478.4 } } ]