{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.336129 0.163871 0.16416 ] [ 0.163871 0.663871 0.16416 ] [ 0.836129 0.336129 0.83584 ] [ 0.663871 0.836129 0.83584 ] [ 0 0 0 ] [ 0.163871 0.663871 0.83584 ] [ 0.836129 0.336129 0.16416 ] [ 0.663871 0.836129 0.16416 ] [ 0.336129 0.163871 0.83584 ] [ 0.5 0.5 0 ] [ 0.836129 0.663871 0.66416 ] [ 0.663871 0.163871 0.66416 ] [ 0.336129 0.836129 0.33584 ] [ 0.163871 0.336129 0.33584 ] [ 0.5 0.5 0.5 ] [ 0.663871 0.163871 0.33584 ] [ 0.336129 0.836129 0.66416 ] [ 0.163871 0.336129 0.66416 ] [ 0.836129 0.663871 0.33584 ] [ 0 0 0.5 ] [ 0.5 0.5 0.75 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.128447 0.628447 0 ] [ 0.871553 0.371553 0 ] [ 0.371553 0.128447 0 ] [ 0.628447 0.871553 0 ] [ 0.628447 0.128447 0.5 ] [ 0.371553 0.871553 0.5 ] [ 0.871553 0.628447 0.5 ] [ 0.128447 0.371553 0.5 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Bi" "Bi" "Bi" "Bi" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.39582512138 "source-unit" "angstrom" } "c" { "source-value" 17.3455246093 "source-unit" "angstrom" } }