[ { "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" 3.474476009607315 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.474476009607315e-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" 669.0288517865455 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725897936 "si-unit" "kg / m s^2" "si-value" 669028851786.5455 } "c12" { "source-value" 749.7184392568806 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362690121 "si-unit" "kg / m s^2" "si-value" 749718439256.8806 } "c44" { "source-value" 144.08256833501176 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826814367348 "si-unit" "kg / m s^2" "si-value" 144082568335.0117 } "excess" { "source-value" 0.20158101735986791 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809134106 "si-unit" "kg / m s^2" "si-value" 201581017.3598679 } } { "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" 3.474476009607315 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.474476009607315e-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" 722.8219101001023 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579404209 "si-unit" "kg / m s^2" "si-value" 722821910100.1023 } } ]