[ { "short-name" { "source-value" [ "diamond" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 4.528091661630001e-10 "source-value" 4.52809166163 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -880569620139000.0 "source-std-uncert-value" 0.0018339841155652732 "source-value" -880569.620138837 } "space-group" { "source-value" "Fd-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 115690603545000.0 "source-std-uncert-value" 0.00259364324754004 "source-value" 115690.60354484139 } "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 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 99372211575.09999 "source-std-uncert-value" 0.005187286361941047 "source-value" 99.37221157513615 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -2348212721930000.0 "source-std-uncert-value" 0.0073359345498213695 "source-value" -2348212.72193036 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "instance-id" 1 } { "short-name" { "source-value" [ "diamond" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 4.528091661630001e-10 "source-value" 4.52809166163 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" -782671325836000.0 "source-std-uncert-value" 0.004235402314911001 "source-value" -782671.3258357366 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Fd-3m" } "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 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "instance-id" 2 } ]