{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.170895 0.16182 0 ] [ 0.16182 0.829105 0 ] [ 0.83818 0.170895 0 ] [ 0.829105 0.83818 0 ] [ 0.380326 0.775899 0.5 ] [ 0.775899 0.619674 0.5 ] [ 0.224101 0.380326 0.5 ] [ 0.619674 0.224101 0.5 ] [ 0 0 0.5 ] [ 0.308945 0.424524 0 ] [ 0.424524 0.691055 0 ] [ 0.575476 0.308945 0 ] [ 0.691055 0.575476 0 ] [ 0.389243 0.216064 0.5 ] [ 0.216064 0.610757 0.5 ] [ 0.783936 0.389243 0.5 ] [ 0.610757 0.783936 0.5 ] [ 0.018935 0.285297 0.5 ] [ 0.285297 0.981065 0.5 ] [ 0.714703 0.018935 0.5 ] [ 0.981065 0.714703 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.29965475 "source-unit" "angstrom" } "c" { "source-value" 4.61523243 "source-unit" "angstrom" } }