[ { "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" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 8.293745204806328 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.293745204806329e-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" 59.48246757515608 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725374935 "si-unit" "kg / m s^2" "si-value" 59482467575.15608 } "c12" { "source-value" 407.44113019448747 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863622958836 "si-unit" "kg / m s^2" "si-value" 407441130194.4875 } "c44" { "source-value" -513296.8796352553 "source-unit" "GPa" "source-std-uncert-value" 0.0018339835173134232 "si-unit" "kg / m s^2" "si-value" -513296879635255.3 } "excess" { "source-value" 0.025360869635824696 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913309 "si-unit" "kg / m s^2" "si-value" 25360869.6358247 } } { "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" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" 8.293745204806328 "source-unit" "angstrom" "si-unit" "m" "si-value" 8.293745204806329e-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" 291.454909321377 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579088962 "si-unit" "kg / m s^2" "si-value" 291454909321.377 } } ]