[ { "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" [ "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" 2.579538382589817 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.579538382589817e-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" 5.6494686077058995 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724817355 "si-unit" "kg / m s^2" "si-value" 5649468607.705899 } "c12" { "source-value" 7.5631634536479 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361835301 "si-unit" "kg / m s^2" "si-value" 7563163453.6479 } "c44" { "source-value" -2.1681860294021607 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812055699 "si-unit" "kg / m s^2" "si-value" -2168186029.402161 } "excess" { "source-value" 0.007551181615182051 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132987 "si-unit" "kg / m s^2" "si-value" 7551181.615182051 } } { "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" [ "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" "Ne" ] } "a" { "source-value" 2.579538382589817 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.579538382589817e-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" 6.925265171667233 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578730946 "si-unit" "kg / m s^2" "si-value" 6925265171.667233 } } ]