[ { "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 5.404023408889771 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.404023408889772e-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" 222.18686648761044 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307251700725 "si-unit" "kg / m s^2" "si-value" 222186866487.6104 } "c12" { "source-value" 82.08696938599671 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361921137 "si-unit" "kg / m s^2" "si-value" 82086969385.9967 } "c44" { "source-value" 64.5218106248618 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813071382 "si-unit" "kg / m s^2" "si-value" 64521810624.8618 } "excess" { "source-value" 0.08114114743072194 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133412 "si-unit" "kg / m s^2" "si-value" 81141147.43072194 } } { "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" 5.404023408889771 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.404023408889772e-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" 128.7869350865346 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157884555 "si-unit" "kg / m s^2" "si-value" 128786935086.5346 } } ]