{ "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 0 0.668663 ] [ 0.5 0.5 0.168663 ] [ 0.5 0.5 0.831337 ] [ 0 0 0.331337 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.703975 0.703975 0.675938 ] [ 0.296025 0.296025 0.675938 ] [ 0.703975 0.703975 0.324062 ] [ 0.203975 0.796025 0.175938 ] [ 0.796025 0.203975 0.175938 ] [ 0.796025 0.203975 0.824062 ] [ 0.311748 0.311748 0 ] [ 0.188252 0.811748 0.5 ] [ 0.811748 0.188252 0.5 ] [ 0.688252 0.688252 0 ] [ 0.296025 0.296025 0.324062 ] [ 0.203975 0.796025 0.824062 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Cu" "Cu" "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" 4.79964339 "source-unit" "angstrom" } "c" { "source-value" 9.18198956 "source-unit" "angstrom" } }