{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.711125 ] [ 0.5 0 0.288875 ] [ 0.5 0 0.955662 ] [ 0 0.5 0.044338 ] [ 0.5 0 0.792828 ] [ 0 0.5 0.380595 ] [ 0 0.5 0.207172 ] [ 0.5 0 0.619405 ] [ 0.5 0 0.444104 ] [ 0 0.5 0.555896 ] [ 0.5 0 0.103867 ] [ 0 0.5 0.896133 ] [ 0.5 0 0.721437 ] [ 0 0.5 0.278563 ] [ 0 0 0.775247 ] [ 0.5 0.5 0.34711 ] [ 0 0 0.34711 ] [ 0.5 0.5 0.224753 ] [ 0 0 0.65289 ] [ 0 0 0.224753 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.775247 ] [ 0.5 0.5 0.65289 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Te" "Te" "Te" "Te" "Br" "Br" "Br" "Br" "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" 3.92603 "source-unit" "angstrom" } "c" { "source-value" 27.93683482 "source-unit" "angstrom" } }