[ { "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" 2.64600470662117 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.64600470662117e-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" -422944991.2692087 "source-unit" "GPa" "source-std-uncert-value" 0.007336626254192435 "si-unit" "kg / m s^2" "si-value" -4.229449912692087e+17 } "c12" { "source-value" 4883455.852372374 "source-unit" "GPa" "source-std-uncert-value" 0.005187291986635103 "si-unit" "kg / m s^2" "si-value" 4883455852372374.0 } "c44" { "source-value" -159968909.60838816 "source-unit" "GPa" "source-std-uncert-value" 0.0018342432551731074 "si-unit" "kg / m s^2" "si-value" -1.599689096083882e+17 } "excess" { "source-value" 21972341.615386378 "source-unit" "GPa" "source-std-uncert-value" 0.0025936558352224427 "si-unit" "kg / m s^2" "si-value" 2.197234161538638e+16 } } { "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" 2.64600470662117 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.64600470662117e-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" -137726026.52148798 "source-unit" "GPa" "source-std-uncert-value" 0.004235538499308765 "si-unit" "kg / m s^2" "si-value" -1.37726026521488e+17 } } ]