[ { "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" 6.248837947845459 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.248837947845459e-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" 42.304325400246114 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724877063 "si-unit" "kg / m s^2" "si-value" 42304325400.24612 } "c12" { "source-value" 43.415392609889714 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361876596 "si-unit" "kg / m s^2" "si-value" 43415392609.88972 } "c44" { "source-value" -1.2451240668512298 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681204066 "si-unit" "kg / m s^2" "si-value" -1245124066.85123 } "excess" { "source-value" 4.1457948185561735e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 4145.794818556174 } } { "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" 6.248837947845459 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.248837947845459e-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" 43.04503687334185 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578764915 "si-unit" "kg / m s^2" "si-value" 43045036873.34185 } } ]