{ "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 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.240389 0.740029 0.129988 ] [ 0.259971 0.240389 0.870012 ] [ 0.759611 0.259971 0.129988 ] [ 0.740029 0.759611 0.870012 ] [ 0.740389 0.240029 0.629988 ] [ 0.759971 0.740389 0.370012 ] [ 0.259611 0.759971 0.629988 ] [ 0.240029 0.259611 0.370012 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Hg" "Hg" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.53609321299 "source-unit" "angstrom" } "c" { "source-value" 13.1628704063 "source-unit" "angstrom" } }