{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0.722694 0.791258 0.134839 ] [ 0.208742 0.722694 0.865161 ] [ 0.791258 0.277306 0.865161 ] [ 0.277306 0.208742 0.134839 ] [ 0.222694 0.291258 0.634839 ] [ 0.708742 0.222694 0.365161 ] [ 0.291258 0.777306 0.365161 ] [ 0.777306 0.708742 0.634839 ] ] } "species" { "source-value" [ "Li" "Li" "Zn" "Zn" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.82026045102 "source-unit" "angstrom" } "c" { "source-value" 9.09154049303 "source-unit" "angstrom" } }