[ { "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 3.6561817497015 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.6561817497015e-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" 230.29297698038303 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725183276 "si-unit" "kg / m s^2" "si-value" 230292976980.383 } "c12" { "source-value" 160.1283534983956 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863620110255 "si-unit" "kg / m s^2" "si-value" 160128353498.3956 } "c44" { "source-value" 118.15822924697862 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826813945064 "si-unit" "kg / m s^2" "si-value" 118158229246.9786 } "excess" { "source-value" 0.26088656346351574 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913445 "si-unit" "kg / m s^2" "si-value" 260886563.4635157 } } { "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 3.6561817497015 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.6561817497015e-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" 183.51656132572475 "source-unit" "GPa" "source-std-uncert-value" 0.00423540157889702 "si-unit" "kg / m s^2" "si-value" 183516561325.7248 } } ]