{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.222242 0.277758 0.52929 ] [ 0.277758 0.777758 0.47071 ] [ 0.722242 0.222242 0.47071 ] [ 0.777758 0.722242 0.52929 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.140264 0.640264 0.909549 ] [ 0.359736 0.140264 0.090451 ] [ 0.640264 0.859736 0.090451 ] [ 0.859736 0.359736 0.909549 ] [ 0 0.5 0.819372 ] [ 0.07986 0.804933 0.76567 ] [ 0.152881 0.652881 0.206585 ] [ 0.195067 0.07986 0.23433 ] [ 0.304933 0.57986 0.76567 ] [ 0.347119 0.152881 0.793415 ] [ 0.42014 0.304933 0.23433 ] [ 0.5 0 0.180628 ] [ 0.57986 0.695067 0.23433 ] [ 0.652881 0.847119 0.793415 ] [ 0.695067 0.42014 0.76567 ] [ 0.804933 0.92014 0.23433 ] [ 0.847119 0.347119 0.206585 ] [ 0.92014 0.195067 0.76567 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "P" "P" "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" 7.82596513 "source-unit" "angstrom" } "c" { "source-value" 5.02875479 "source-unit" "angstrom" } }