[ { "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" [ "Fm" "Fm" "Fm" "Fm" "Fm" "Fm" "Fm" "Fm" ] } "a" { "source-value" 7.4273052692413435 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.427305269241343e-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" -715676.0296884304 "source-unit" "GPa" "source-std-uncert-value" 0.007335931890622477 "si-unit" "kg / m s^2" "si-value" -715676029688430.4 } "c12" { "source-value" 38.31966908541552 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361871159 "si-unit" "kg / m s^2" "si-value" 38319669085.41552 } "c44" { "source-value" -269278.81140608626 "source-unit" "GPa" "source-std-uncert-value" 0.0018339831198313278 "si-unit" "kg / m s^2" "si-value" -269278811406086.2 } "excess" { "source-value" 44116.07713935125 "source-unit" "GPa" "source-std-uncert-value" 0.002593643206319942 "si-unit" "kg / m s^2" "si-value" 44116077139351.25 } } { "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" [ "Fm" "Fm" "Fm" "Fm" "Fm" "Fm" "Fm" "Fm" ] } "a" { "source-value" 7.4273052692413435 "source-unit" "angstrom" "si-unit" "m" "si-value" 7.427305269241343e-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" -238533.13011675316 "source-unit" "GPa" "source-std-uncert-value" 0.004235401803109777 "si-unit" "kg / m s^2" "si-value" -238533130116753.2 } } ]