[ { "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 6.073715552687646 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.073715552687646e-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" 29.993927608428546 "source-unit" "GPa" "source-std-uncert-value" 0.0073359307248570095 "si-unit" "kg / m s^2" "si-value" 29993927608.42855 } "c12" { "source-value" 29.99217618808646 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361861134 "si-unit" "kg / m s^2" "si-value" 29992176188.08646 } "c44" { "source-value" 0.00026001671186535726 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812020386 "si-unit" "kg / m s^2" "si-value" 260016.7118653573 } "excess" { "source-value" 8.311869711028836e-07 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 831.1869711028836 } } { "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" 6.073715552687646 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.073715552687646e-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" 29.992759994867157 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578752639 "si-unit" "kg / m s^2" "si-value" 29992759994.86716 } } ]