[ { "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 5.520137846469879 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.520137846469879e-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" -1139814.242374862 "source-unit" "GPa" "source-std-uncert-value" 0.007335932581467717 "si-unit" "kg / m s^2" "si-value" -1139814242374862.0 } "c12" { "source-value" 16.30762974081183 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618453715 "si-unit" "kg / m s^2" "si-value" 16307629740.81183 } "c44" { "source-value" -427465.4599976864 "source-unit" "GPa" "source-std-uncert-value" 0.0018339833775021669 "si-unit" "kg / m s^2" "si-value" -427465459997686.4 } "excess" { "source-value" 71406.4826619115 "source-unit" "GPa" "source-std-uncert-value" 0.002593643222036611 "si-unit" "kg / m s^2" "si-value" 71406482661911.5 } } { "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 5.520137846469879 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.520137846469879e-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" -379927.20903846016 "source-unit" "GPa" "source-std-uncert-value" 0.004235401936048986 "si-unit" "kg / m s^2" "si-value" -379927209038460.2 } } ]