[ { "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" 3.5196183800697343 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.519618380069734e-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" 316.3986003851217 "source-unit" "GPa" "source-std-uncert-value" 0.007335930725323536 "si-unit" "kg / m s^2" "si-value" 316398600385.1217 } "c12" { "source-value" 147.97551172902902 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361997029 "si-unit" "kg / m s^2" "si-value" 147975511729.029 } "c44" { "source-value" 168.180151609317 "source-unit" "GPa" "source-std-uncert-value" 0.001833982681475987 "si-unit" "kg / m s^2" "si-value" 168180151609.317 } "excess" { "source-value" 0.4138268507130232 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809135325 "si-unit" "kg / m s^2" "si-value" 413826850.7130232 } } { "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" 3.5196183800697343 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.519618380069734e-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" 204.1165412810599 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578916395 "si-unit" "kg / m s^2" "si-value" 204116541281.0599 } } ]