{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.183725 ] [ 0.5 0.5 0.816275 ] [ 0.5 0.5 0 ] [ 0 0 0.683725 ] [ 0 0 0.316275 ] [ 0 0 0.5 ] [ 0 0 0.096427 ] [ 0 0 0.903573 ] [ 0.5 0.5 0.596427 ] [ 0.5 0.5 0.403573 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "Si" "Si" "Si" "Si" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.68385990419 "source-unit" "angstrom" } "c" { "source-value" 18.9858566534 "source-unit" "angstrom" } }