[ { "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" 6.908301472663879 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.908301472663879e-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" -245585.79163998668 "source-unit" "GPa" "source-std-uncert-value" 0.007335931124844649 "si-unit" "kg / m s^2" "si-value" -245585791639986.7 } "c12" { "source-value" 15.998430572283608 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361845015 "si-unit" "kg / m s^2" "si-value" 15998430572.28361 } "c44" { "source-value" -184188.53331182385 "source-unit" "GPa" "source-std-uncert-value" 0.001833982981227447 "si-unit" "kg / m s^2" "si-value" -184188533311823.8 } "excess" { "source-value" 1.8154852395409966 "source-unit" "GPa" "source-std-uncert-value" 0.00259364318091434 "si-unit" "kg / m s^2" "si-value" 1815485239.540997 } } { "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" 6.908301472663879 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.908301472663879e-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" -81851.2649262807 "source-unit" "GPa" "source-std-uncert-value" 0.004235401655721524 "si-unit" "kg / m s^2" "si-value" -81851264926280.7 } } ]