[ { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.321840330958366 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.321840330958366e-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" 58.61198246453477 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724903627 "si-unit" "kg / m s^2" "si-value" 58611982464.53477 } "c12" { "source-value" 42.373168402507936 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361875394 "si-unit" "kg / m s^2" "si-value" 42373168402.50793 } "c44" { "source-value" 1745.0989602114066 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826840446363 "si-unit" "kg / m s^2" "si-value" 1745098960211.407 } "excess" { "source-value" 8.452123398433608 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180918162 "si-unit" "kg / m s^2" "si-value" 8452123398.433608 } } { "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 5.321840330958366 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.321840330958366e-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" 47.78610642318354 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578769373 "si-unit" "kg / m s^2" "si-value" 47786106423.18354 } } ]