[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 3.518121153116226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.518121153116226e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 246.95471154251194 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725210417 "si-unit" "kg / m s^2" "si-value" 246954711542.5119 } "c12" { "source-value" 147.2541014434457 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361996197 "si-unit" "kg / m s^2" "si-value" 147254101443.4457 } "c44" { "source-value" 122.87160867580938 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681402184 "si-unit" "kg / m s^2" "si-value" 122871608675.8094 } "excess" { "source-value" 0.04619251381400199 "source-unit" "GPa" "source-std-uncert-value" 0.002593643180913321 "si-unit" "kg / m s^2" "si-value" 46192513.81400198 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" 3.518121153116226 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.518121153116226e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-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" 180.48763814313443 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578894172 "si-unit" "kg / m s^2" "si-value" 180487638143.1344 } } ]