{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.171224 0.828776 0.269405 ] [ 0.828776 0.171224 0.269405 ] [ 0.828776 0.828776 0.730595 ] [ 0.171224 0.171224 0.730595 ] [ 0.671224 0.328776 0.769405 ] [ 0.328776 0.671224 0.769405 ] [ 0.328776 0.328776 0.230595 ] [ 0.671224 0.671224 0.230595 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Sn" "Sn" "Hg" "Hg" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.23769136204 "source-unit" "angstrom" } "c" { "source-value" 7.13850634454 "source-unit" "angstrom" } }