{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2nm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.665625 ] [ 0.5 0.5 0.165625 ] [ 0 0 0.334959 ] [ 0.5 0.5 0.834959 ] [ 0 0 0.00167 ] [ 0.5 0.5 0.50167 ] [ 0.695319 0.695319 0.656726 ] [ 0.804681 0.195319 0.156726 ] [ 0.195319 0.804681 0.156726 ] [ 0.304681 0.304681 0.656726 ] [ 0.291079 0.291079 0.002745 ] [ 0.208921 0.791079 0.502745 ] [ 0.791079 0.208921 0.502745 ] [ 0.708921 0.708921 0.002745 ] [ 0.306228 0.306228 0.342953 ] [ 0.193772 0.806228 0.842953 ] [ 0.806228 0.193772 0.842953 ] [ 0.693772 0.693772 0.342953 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "F" "F" "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" 4.75431565 "source-unit" "angstrom" } "c" { "source-value" 9.42952484 "source-unit" "angstrom" } }