[ { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.6473073810338983 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.647307381033899e-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" 205.89038298628554 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725143528 "si-unit" "kg / m s^2" "si-value" 205890382986.2856 } "c12" { "source-value" 141.27453619634676 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636198931 "si-unit" "kg / m s^2" "si-value" 141274536196.3468 } "c44" { "source-value" 101.15064060836073 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813668027 "si-unit" "kg / m s^2" "si-value" 101150640608.3607 } "excess" { "source-value" 4.736951571735045e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 4.736951571735045 } } { "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" 3.6473073810338983 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.647307381033899e-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" 162.813151792993 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157887755 "si-unit" "kg / m s^2" "si-value" 162813151792.993 } } ]