{ "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 0.25 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.709774 0.094122 0.98131 ] [ 0.905878 0.709774 0.01869 ] [ 0.094122 0.290226 0.01869 ] [ 0.290226 0.905878 0.98131 ] [ 0.5 0.5 0 ] [ 0.209774 0.594122 0.48131 ] [ 0.405878 0.209774 0.51869 ] [ 0.594122 0.790226 0.51869 ] [ 0.790226 0.405878 0.48131 ] ] } "species" { "source-value" [ "Li" "Li" "Bi" "Bi" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.02018786 "source-unit" "angstrom" } "c" { "source-value" 4.43809037 "source-unit" "angstrom" } }