[ { "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" 5.92838503420353 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.928385034203531e-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" 76.51696767576064 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724932789 "si-unit" "kg / m s^2" "si-value" 76516967675.76064 } "c12" { "source-value" 94.96244063724606 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361935968 "si-unit" "kg / m s^2" "si-value" 94962440637.24606 } "c44" { "source-value" -759093.0345729681 "source-unit" "GPa" "source-std-uncert-value" 0.001833983917691597 "si-unit" "kg / m s^2" "si-value" -759093034572968.1 } "excess" { "source-value" 1.3145780760247833e-06 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 1314.578076024783 } } { "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" 5.92838503420353 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.928385034203531e-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" 88.81394965008424 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578807958 "si-unit" "kg / m s^2" "si-value" 88813949650.08424 } } ]