{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/a" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0.75 0.125 ] [ 0.5 0.25 0.125 ] [ 0.25 0.5 0.875 ] [ 0.75 0.5 0.875 ] [ 0 0.25 0.625 ] [ 0 0.75 0.625 ] [ 0.75 0 0.375 ] [ 0.25 0 0.375 ] [ 0.785811 0.354223 0.051224 ] [ 0.214189 0.645777 0.051224 ] [ 0.214189 0.145777 0.198776 ] [ 0.785811 0.854223 0.198776 ] [ 0.354223 0.714189 0.301224 ] [ 0.645777 0.285811 0.301224 ] [ 0.354223 0.214189 0.948776 ] [ 0.645777 0.785811 0.948776 ] [ 0.285811 0.854223 0.551224 ] [ 0.714189 0.145777 0.551224 ] [ 0.714189 0.645777 0.698776 ] [ 0.285811 0.354223 0.698776 ] [ 0.854223 0.214189 0.801224 ] [ 0.145777 0.785811 0.801224 ] [ 0.854223 0.714189 0.448776 ] [ 0.145777 0.285811 0.448776 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "O" "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" 5.78770811 "source-unit" "angstrom" } "c" { "source-value" 9.71383845 "source-unit" "angstrom" } }