[ { "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" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 3.554999202489853 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.554999202489853e-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" -17066264.922300402 "source-unit" "GPa" "source-std-uncert-value" 0.007335958524461089 "si-unit" "kg / m s^2" "si-value" -1.70662649223004e+16 } "c12" { "source-value" 1274.0147914338374 "source-unit" "GPa" "source-std-uncert-value" 0.005187286363294011 "si-unit" "kg / m s^2" "si-value" 1274014791433.837 } "c44" { "source-value" -6399596.073684443 "source-unit" "GPa" "source-std-uncert-value" 0.001833993105528654 "si-unit" "kg / m s^2" "si-value" -6399596073684443.0 } "excess" { "source-value" 1123.1018261142174 "source-unit" "GPa" "source-std-uncert-value" 0.002593643181560094 "si-unit" "kg / m s^2" "si-value" 1123101826114.217 } } { "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" [ "H" "H" "H" "H" "H" "H" "H" "H" ] } "a" { "source-value" 3.554999202489853 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.554999202489853e-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" -5687905.630905844 "source-unit" "GPa" "source-std-uncert-value" 0.004235406929575656 "si-unit" "kg / m s^2" "si-value" -5687905630905844.0 } } ]