[ { "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 5.921936988830566 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.921936988830566e-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" 104.33297950935174 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724978101 "si-unit" "kg / m s^2" "si-value" 104332979509.3517 } "c12" { "source-value" 61.294433591240015 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361897188 "si-unit" "kg / m s^2" "si-value" 61294433591.24001 } "c44" { "source-value" 45.69991395495047 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812764789 "si-unit" "kg / m s^2" "si-value" 45699913954.95047 } "excess" { "source-value" 0.03746130250449057 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913316 "si-unit" "kg / m s^2" "si-value" 37461302.50449057 } } { "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" 5.921936988830566 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.921936988830566e-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" 75.64061556394392 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787955685 "si-unit" "kg / m s^2" "si-value" 75640615563.94392 } } ]