[ { "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" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" 4.446976971626283 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.446976971626283e-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" -12920095902.55407 "source-unit" "GPa" "source-std-uncert-value" 0.007356991370067142 "si-unit" "kg / m s^2" "si-value" -1.292009590255407e+19 } "c12" { "source-value" 359.80685443001295 "source-unit" "GPa" "source-std-uncert-value" 0.005187286362432523 "si-unit" "kg / m s^2" "si-value" 359806854430.0129 } "c44" { "source-value" -4845025836.274833 "source-unit" "GPa" "source-std-uncert-value" 0.0018418747623894535 "si-unit" "kg / m s^2" "si-value" -4.845025836274832e+18 } "excess" { "source-value" 531423504.94731146 "source-unit" "GPa" "source-std-uncert-value" 0.002593949428687417 "si-unit" "kg / m s^2" "si-value" 5.314235049473115e+17 } } { "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" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" 4.446976971626283 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.446976971626283e-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" -4306698394.313454 "source-unit" "GPa" "source-std-uncert-value" 0.004239458577103084 "si-unit" "kg / m s^2" "si-value" -4.306698394313454e+18 } } ]