[ { "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 5.420864522457123 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.420864522457123e-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" -3209656.0999109694 "source-unit" "GPa" "source-std-uncert-value" 0.007335935953068221 "si-unit" "kg / m s^2" "si-value" -3209656099910970.0 } "c12" { "source-value" 106.2671269197321 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361948988 "si-unit" "kg / m s^2" "si-value" 106267126919.7321 } "c44" { "source-value" -1203644.3343833864 "source-unit" "GPa" "source-std-uncert-value" 0.0018339846418229159 "si-unit" "kg / m s^2" "si-value" -1203644334383386.0 } "excess" { "source-value" 5.693896625452125 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809165735 "si-unit" "kg / m s^2" "si-value" 5693896625.452126 } } { "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" 5.420864522457123 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.420864522457123e-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" -1069814.5218857098 "source-unit" "GPa" "source-std-uncert-value" 0.004235402584970417 "si-unit" "kg / m s^2" "si-value" -1069814521885710.0 } } ]