{ "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" [ [ 0.5 0 0.779298 ] [ 0 0.5 0.220702 ] [ 0.75 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.75 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.5 0.224168 0.271409 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.5 0.775832 0.271409 ] [ 0.353107 0.5 0.238355 ] [ 0 0.146893 0.238355 ] [ 0 0.853107 0.238355 ] [ 0.646893 0.5 0.238355 ] [ 0.146893 0 0.761645 ] [ 0.853107 0 0.761645 ] [ 0.5 0.353107 0.761645 ] [ 0.5 0.646893 0.761645 ] [ 0.775832 0.5 0.728591 ] [ 0 0.724168 0.728591 ] [ 0 0.275832 0.728591 ] [ 0.224168 0.5 0.728591 ] [ 0.724168 0 0.271409 ] [ 0.275832 0 0.271409 ] ] } "species" { "source-value" [ "Tb" "Tb" "Si" "Si" "Si" "Si" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.17212094 "source-unit" "angstrom" } "c" { "source-value" 4.6719235 "source-unit" "angstrom" } }