[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 3.954429864883423 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.954429864883423e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 382.32269640312114 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725430918 "si-unit" "kg / m s^2" "si-value" 382322696403.1212 } "c12" { "source-value" 250.92548282880819 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362115608 "si-unit" "kg / m s^2" "si-value" 250925482828.8082 } "c44" { "source-value" 252.1284576031217 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826816127307 "si-unit" "kg / m s^2" "si-value" 252128457603.1217 } "excess" { "source-value" 0.597304309124656 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809136383 "si-unit" "kg / m s^2" "si-value" 597304309.1246561 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" 3.954429864883423 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.954429864883423e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 294.7245540202458 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579001606 "si-unit" "kg / m s^2" "si-value" 294724554020.2458 } } ]