{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mnc" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.708441 0.194206 0 ] [ 0.694206 0.208441 0.5 ] [ 0.305794 0.791559 0.5 ] [ 0.291559 0.805794 0 ] [ 0.791559 0.694206 0.5 ] [ 0.208441 0.305794 0.5 ] [ 0 0 0.225107 ] [ 0.5 0.5 0.274893 ] [ 0 0 0.774893 ] [ 0.5 0.5 0.725107 ] [ 0.805794 0.708441 0 ] [ 0.194206 0.291559 0 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Pt" "Pt" "I" "I" "I" "I" "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" 7.75894562 "source-unit" "angstrom" } "c" { "source-value" 12.04298069 "source-unit" "angstrom" } }