[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "As" "As" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" 5.292516589164734 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.292516589164734e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 8633294.087308379 "source-unit" "GPa" "source-std-uncert-value" 0.007335944787620777 "si-unit" "kg / m s^2" "si-value" 8633294087308379.0 } "c12" { "source-value" 650.7572271572345 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362576136 "si-unit" "kg / m s^2" "si-value" 650757227157.2345 } "c44" { "source-value" 3237527.2296655923 "source-unit" "GPa" "source-std-uncert-value" 0.001833987954822573 "si-unit" "kg / m s^2" "si-value" 3237527229665592.0 } "excess" { "source-value" 730264.808763999 "source-unit" "GPa" "source-std-uncert-value" 0.002593643601476441 "si-unit" "kg / m s^2" "si-value" 730264808763999.0 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "As" "As" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" 5.292516589164734 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.292516589164734e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] ] } "space-group" { "source-value" "Fd-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" 2878198.5339208976 "source-unit" "GPa" "source-std-uncert-value" 0.004235404285523715 "si-unit" "kg / m s^2" "si-value" 2878198533920898.0 } } ]