[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Pd" "Pd" ] } "a" { "source-value" 3.08199380338192 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.08199380338192e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 142.47249597927512 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725040226 "si-unit" "kg / m s^2" "si-value" 142472495979.2751 } "c12" { "source-value" 180.00467419854434 "source-unit" "GPa" "source-std-uncert-value" 0.00518728636203392 "si-unit" "kg / m s^2" "si-value" 180004674198.5443 } "c44" { "source-value" 98.0488965473567 "source-unit" "GPa" "source-std-uncert-value" 0.00183398268136175 "si-unit" "kg / m s^2" "si-value" 98048896547.3567 } "excess" { "source-value" 0.09543736526990394 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133495 "si-unit" "kg / m s^2" "si-value" 95437365.26990394 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Pd" "Pd" ] } "a" { "source-value" 3.08199380338192 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.08199380338192e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.5 0.5 0.5 ] ] } "space-group" { "source-value" "Im-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" 167.4939481254546 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015788819525 "si-unit" "kg / m s^2" "si-value" 167493948125.4546 } } ]