[ { "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" 6.012307459115988 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.012307459115987e-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" -1435111.1439532377 "source-unit" "GPa" "source-std-uncert-value" 0.007335933062685902 "si-unit" "kg / m s^2" "si-value" -1435111143953238.0 } "c12" { "source-value" 104.57503759004237 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636194704 "si-unit" "kg / m s^2" "si-value" 104575037590.0424 } "c44" { "source-value" -1076381.7928337508 "source-unit" "GPa" "source-std-uncert-value" 0.0018339844345244731 "si-unit" "kg / m s^2" "si-value" -1076381792833751.0 } "excess" { "source-value" 6.8174566475099 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809172205 "si-unit" "kg / m s^2" "si-value" 6817456647.5099 } } { "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" 6.012307459115988 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.012307459115987e-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" -478300.6646260192 "source-unit" "GPa" "source-std-uncert-value" 0.004235402028714829 "si-unit" "kg / m s^2" "si-value" -478300664626019.2 } } ]