[ { "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 5.839237466454507 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.839237466454508e-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" 60.1073401448829 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724906061 "si-unit" "kg / m s^2" "si-value" 60107340144.8829 } "c12" { "source-value" 63.875708324755784 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361900162 "si-unit" "kg / m s^2" "si-value" 63875708324.75578 } "c44" { "source-value" -861.6169594068646 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826826055292 "si-unit" "kg / m s^2" "si-value" -861616959406.8646 } "excess" { "source-value" 124.7907732478864 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180985162 "si-unit" "kg / m s^2" "si-value" 124790773247.8864 } } { "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" 5.839237466454507 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.839237466454508e-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" 62.61958559813149 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578783323 "si-unit" "kg / m s^2" "si-value" 62619585598.13149 } } ]