{ "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" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.815898 0.244055 0.892596 ] [ 0.755945 0.815898 0.107404 ] [ 0.184102 0.755945 0.892596 ] [ 0.244055 0.184102 0.107404 ] [ 0.315898 0.744055 0.392596 ] [ 0.255945 0.315898 0.607404 ] [ 0.684102 0.255945 0.392596 ] [ 0.744055 0.684102 0.607404 ] ] } "species" { "source-value" [ "Li" "Li" "Co" "Co" "Si" "Si" "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" 4.4846479 "source-unit" "angstrom" } "c" { "source-value" 8.5348327 "source-unit" "angstrom" } }