{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-43d" } "basis-atom-coordinates" { "source-value" [ [ 0.801682 0.801682 0.801682 ] [ 0.551682 0.448318 0.948318 ] [ 0.448318 0.948318 0.551682 ] [ 0.948318 0.551682 0.448318 ] [ 0.198318 0.698318 0.801682 ] [ 0.698318 0.801682 0.198318 ] [ 0.801682 0.198318 0.698318 ] [ 0.051682 0.051682 0.051682 ] [ 0.301682 0.301682 0.301682 ] [ 0.051682 0.948318 0.448318 ] [ 0.948318 0.448318 0.051682 ] [ 0.448318 0.051682 0.948318 ] [ 0.698318 0.198318 0.301682 ] [ 0.198318 0.301682 0.698318 ] [ 0.301682 0.698318 0.198318 ] [ 0.551682 0.551682 0.551682 ] [ 0.047817 0 0.75 ] [ 0.202183 0 0.75 ] [ 0.75 0.797817 0.5 ] [ 0.5 0.75 0.797817 ] [ 0.75 0.202183 0 ] [ 0 0.75 0.202183 ] [ 0.952183 0.5 0.75 ] [ 0.5 0.75 0.952183 ] [ 0.797817 0.5 0.75 ] [ 0.75 0.952183 0.5 ] [ 0.75 0.047817 0 ] [ 0 0.75 0.047817 ] [ 0.547817 0.5 0.25 ] [ 0.702183 0.5 0.25 ] [ 0.25 0.297817 0 ] [ 0 0.25 0.297817 ] [ 0.25 0.702183 0.5 ] [ 0.5 0.25 0.702183 ] [ 0.452183 0 0.25 ] [ 0 0.25 0.452183 ] [ 0.297817 0 0.25 ] [ 0.25 0.452183 0 ] [ 0.25 0.547817 0.5 ] [ 0.5 0.25 0.547817 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "Nd" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.61680470769 "source-unit" "angstrom" } }