[ { "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" [ "Cr" "Cr" ] } "a" { "source-value" 2.880039922893047 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.880039922893047e-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" 415.8737948703094 "source-unit" "GPa" "source-std-uncert-value" 0.00733593072548557 "si-unit" "kg / m s^2" "si-value" 415873794870.3094 } "c12" { "source-value" 110.01323473361005 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361953303 "si-unit" "kg / m s^2" "si-value" 110013234733.61 } "c44" { "source-value" 105.11783656825168 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681373265 "si-unit" "kg / m s^2" "si-value" 105117836568.2517 } "excess" { "source-value" 2.9605947323344027e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2.960594732334403 } } { "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" [ "Cr" "Cr" ] } "a" { "source-value" 2.880039922893047 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.880039922893047e-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" 211.96675477917648 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578923777 "si-unit" "kg / m s^2" "si-value" 211966754779.1765 } } ]