[ { "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" [ "Mn" "Mn" ] } "a" { "source-value" 2.78804013133049 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.78804013133049e-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" 570.3131689549277 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725737138 "si-unit" "kg / m s^2" "si-value" 570313168954.9277 } "c12" { "source-value" 530.1994487587301 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362437277 "si-unit" "kg / m s^2" "si-value" 530199448758.7301 } "c44" { "source-value" 114.78049373006314 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813890043 "si-unit" "kg / m s^2" "si-value" 114780493730.0631 } "excess" { "source-value" 0.015758104747006185 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809133035 "si-unit" "kg / m s^2" "si-value" 15758104.74700619 } } { "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" [ "Mn" "Mn" ] } "a" { "source-value" 2.78804013133049 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.78804013133049e-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" 543.5706888241293 "source-unit" "GPa" "source-std-uncert-value" 0.004235401579235633 "si-unit" "kg / m s^2" "si-value" 543570688824.1293 } } ]