[ { "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" 5.4223007559776315 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.422300755977631e-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" 167.25598610400888 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725080596 "si-unit" "kg / m s^2" "si-value" 167255986104.0089 } "c12" { "source-value" 65.30620616967552 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636190181 "si-unit" "kg / m s^2" "si-value" 65306206169.67552 } "c44" { "source-value" 80.33450318569272 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813328953 "si-unit" "kg / m s^2" "si-value" 80334503185.69272 } "excess" { "source-value" 0.0016315556313395323 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132953 "si-unit" "kg / m s^2" "si-value" 1631555.631339532 } } { "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" 5.4223007559776315 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.422300755977631e-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" 99.28946614778664 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157881781 "si-unit" "kg / m s^2" "si-value" 99289466147.78664 } } ]