{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.086865 0.689649 0.5 ] [ 0.310351 0.086865 0.5 ] [ 0.689649 0.913135 0.5 ] [ 0.913135 0.310351 0.5 ] [ 0.586865 0.189649 0 ] [ 0.810351 0.586865 0 ] [ 0.189649 0.413135 0 ] [ 0.413135 0.810351 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.715113 0.913231 0 ] [ 0.913231 0.284887 0 ] [ 0.284887 0.086769 0 ] [ 0.086769 0.715113 0 ] [ 0.5 0.5 0 ] [ 0.215113 0.413231 0.5 ] [ 0.413231 0.784887 0.5 ] [ 0.784887 0.586769 0.5 ] [ 0.586769 0.215113 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Np" "Np" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.75367639 "source-unit" "angstrom" } "c" { "source-value" 4.44187956 "source-unit" "angstrom" } }