{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_3" } "basis-atom-coordinates" { "source-value" [ [ 0.256866 0.50941 0.249049 ] [ 0.49059 0.256866 0.999049 ] [ 0.50941 0.743134 0.499049 ] [ 0.743134 0.49059 0.749049 ] [ 0.00211 0.247928 0.988113 ] [ 0.99789 0.752072 0.488113 ] [ 0.219255 0.261279 0.646056 ] [ 0.261279 0.780745 0.896056 ] [ 0.247928 0.99789 0.238113 ] [ 0.752072 0.00211 0.738113 ] [ 0.738721 0.219255 0.396056 ] [ 0.780745 0.738721 0.146056 ] [ 0.044707 0.752133 0.253603 ] [ 0.247867 0.044707 0.003603 ] [ 0.752133 0.955293 0.503603 ] [ 0.955293 0.247867 0.753603 ] [ 0.999924 0.264674 0.242599 ] [ 0.264674 0.000076 0.492599 ] [ 0.255706 0.521014 0.494112 ] [ 0.258029 0.493183 0.001469 ] [ 0.506817 0.258029 0.751469 ] [ 0.521014 0.744294 0.744112 ] [ 0.478986 0.255706 0.244112 ] [ 0.493183 0.741971 0.251469 ] [ 0.741971 0.506817 0.501469 ] [ 0.744294 0.478986 0.994112 ] [ 0.735326 0.999924 0.992599 ] [ 0.000076 0.735326 0.742599 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "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" 6.21986891 "source-unit" "angstrom" } "c" { "source-value" 8.73434311 "source-unit" "angstrom" } }