[ { "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" [ "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" 3.823230125010014 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.823230125010014e-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" 654.0180272825581 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725873485 "si-unit" "kg / m s^2" "si-value" 654018027282.5581 } "c12" { "source-value" 373.1460709743921 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362256382 "si-unit" "kg / m s^2" "si-value" 373146070974.3921 } "c44" { "source-value" 373.92164002411545 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826818111204 "si-unit" "kg / m s^2" "si-value" 373921640024.1154 } "excess" { "source-value" 0.37108583865009476 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913508 "si-unit" "kg / m s^2" "si-value" 371085838.6500947 } } { "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" [ "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" 3.823230125010014 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.823230125010014e-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" 466.7700564104474 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579163406 "si-unit" "kg / m s^2" "si-value" 466770056410.4474 } } ]