{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.826346 ] [ 0 0 0.673654 ] [ 0 0 0.326346 ] [ 0.5 0.5 0.173654 ] [ 0.326791 0.326791 0 ] [ 0.199326 0.800674 0.813777 ] [ 0.800674 0.199326 0.813777 ] [ 0.699326 0.699326 0.686223 ] [ 0.300674 0.300674 0.686223 ] [ 0.173209 0.826791 0.5 ] [ 0.826791 0.173209 0.5 ] [ 0.699326 0.699326 0.313777 ] [ 0.300674 0.300674 0.313777 ] [ 0.199326 0.800674 0.186223 ] [ 0.800674 0.199326 0.186223 ] [ 0.673209 0.673209 0 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.99974566 "source-unit" "angstrom" } "c" { "source-value" 8.77617693 "source-unit" "angstrom" } }