{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.868803 ] [ 0 0.75 0.131197 ] [ 0.5 0.75 0.368803 ] [ 0.5 0.25 0.631197 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.031043 0.266099 ] [ 0.5 0.031043 0.233901 ] [ 0.269241 0.25 0.016695 ] [ 0.730759 0.25 0.016695 ] [ 0.269241 0.75 0.983305 ] [ 0.730759 0.75 0.983305 ] [ 0.5 0.968957 0.766099 ] [ 0 0.968957 0.733901 ] [ 0.5 0.531043 0.766099 ] [ 0 0.531043 0.733901 ] [ 0.769241 0.75 0.516695 ] [ 0.230759 0.75 0.516695 ] [ 0.769241 0.25 0.483305 ] [ 0.230759 0.25 0.483305 ] [ 0 0.468957 0.266099 ] [ 0.5 0.468957 0.233901 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.75286592 "source-unit" "angstrom" } "b" { "source-value" 5.9170236 "source-unit" "angstrom" } "c" { "source-value" 8.26326933 "source-unit" "angstrom" } }