[ { "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 6.621962770819665 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.621962770819666e-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" -1630643.7459678657 "source-unit" "GPa" "source-std-uncert-value" 0.007335933380984444 "si-unit" "kg / m s^2" "si-value" -1630643745967866.0 } "c12" { "source-value" 17.014845842788834 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361846186 "si-unit" "kg / m s^2" "si-value" 17014845842.78883 } "c44" { "source-value" -611488.261052164 "source-unit" "GPa" "source-std-uncert-value" 0.0018339836772576143 "si-unit" "kg / m s^2" "si-value" -611488261052164.0 } "excess" { "source-value" 9420.194372170308 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431863384265 "si-unit" "kg / m s^2" "si-value" 9420194372170.309 } } { "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 6.621962770819665 "source-unit" "angstrom" "si-unit" "m" "si-value" 6.621962770819666e-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" -543536.57209206 "source-unit" "GPa" "source-std-uncert-value" 0.0042354020899165274 "si-unit" "kg / m s^2" "si-value" -543536572092060.0 } } ]