[ { "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" 5.054690159857273 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.054690159857273e-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" -107484.80252506513 "source-unit" "GPa" "source-std-uncert-value" 0.0073359309000189075 "si-unit" "kg / m s^2" "si-value" -107484802525065.1 } "c12" { "source-value" 74.55145842440423 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863619124585 "si-unit" "kg / m s^2" "si-value" 74551458424.40424 } "c44" { "source-value" -40318.405528210635 "source-unit" "GPa" "source-std-uncert-value" 0.0018339827468768436 "si-unit" "kg / m s^2" "si-value" -40318405528210.63 } "excess" { "source-value" 0.16925156224686033 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913392 "si-unit" "kg / m s^2" "si-value" 169251562.2468603 } } { "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" 5.054690159857273 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.054690159857273e-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" -35778.5665360721 "source-unit" "GPa" "source-std-uncert-value" 0.004235401612490501 "si-unit" "kg / m s^2" "si-value" -35778566536072.1 } } ]