[ { "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 5.775043770670891 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.775043770670891e-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" 120.8694127281055 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725005036 "si-unit" "kg / m s^2" "si-value" 120869412728.1055 } "c12" { "source-value" 42.6722281587264 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361875739 "si-unit" "kg / m s^2" "si-value" 42672228158.72639 } "c44" { "source-value" 50.28844988587131 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681283953 "si-unit" "kg / m s^2" "si-value" 50288449885.87131 } "excess" { "source-value" 0.032317052589554876 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913313 "si-unit" "kg / m s^2" "si-value" 32317052.58955488 } } { "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" 5.775043770670891 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.775043770670891e-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" 68.73795634851942 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578789077 "si-unit" "kg / m s^2" "si-value" 68737956348.51942 } } ]