[ { "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" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" 6.303511045873165 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.303511045873166e-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" 64.88340872965408 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307249138426 "si-unit" "kg / m s^2" "si-value" 64883408729.65408 } "c12" { "source-value" 33.87312168120869 "source-unit" "GPa" "source-std-uncert-value" 0.0051872863618656045 "si-unit" "kg / m s^2" "si-value" 33873121681.20869 } "c44" { "source-value" 42.581286056433164 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812713992 "si-unit" "kg / m s^2" "si-value" 42581286056.43317 } "excess" { "source-value" 6.739793908159267e-07 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 673.9793908159268 } } { "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" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" 6.303511045873165 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.303511045873166e-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" 44.20988403069049 "source-unit" "GPa" "source-std-uncert-value" 0.0042354015787660106 "si-unit" "kg / m s^2" "si-value" 44209884030.69049 } } ]