[ { "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 4.0055974945426 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.0055974945426e-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" 8675.486890036782 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307389396855 "si-unit" "kg / m s^2" "si-value" 8675486890036.782 } "c12" { "source-value" 8696.325095528007 "source-unit" "GPa" "source-std-uncert-value" 0.005187286371843094 "si-unit" "kg / m s^2" "si-value" 8696325095528.007 } "c44" { "source-value" -29.49515445971979 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812500827 "si-unit" "kg / m s^2" "si-value" -29495154459.71979 } "excess" { "source-value" 2.6645352591009626e-09 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 2.664535259100963 } } { "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" 4.0055974945426 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.0055974945426e-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" 8689.379027030933 "source-unit" "GPa" "source-std-uncert-value" 0.004235401586896342 "si-unit" "kg / m s^2" "si-value" 8689379027030.933 } } ]