{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_322" } "basis-atom-coordinates" { "source-value" [ [ 0.787366 0 0.75 ] [ 0.212634 0 0.25 ] [ 0 0.787366 0.5 ] [ 0 0.212634 0 ] [ 0.756209 0.756209 0.125 ] [ 0.243791 0.756209 0.875 ] [ 0.756209 0.243791 0.375 ] [ 0.243791 0.243791 0.625 ] [ 0.5 0.766097 0.5 ] [ 0.766097 0.5 0.75 ] [ 0.233903 0.5 0.25 ] [ 0.5 0.233903 0 ] [ 0.732981 0.975853 0.498398 ] [ 0.267019 0.975853 0.501602 ] [ 0.975853 0.732981 0.751602 ] [ 0.024147 0.732981 0.248398 ] [ 0.522569 0.72943 0.735035 ] [ 0.477431 0.72943 0.264965 ] [ 0.72943 0.522569 0.514965 ] [ 0.27057 0.522569 0.485035 ] [ 0.72943 0.477431 0.985035 ] [ 0.27057 0.477431 0.014965 ] [ 0.477431 0.27057 0.235035 ] [ 0.522569 0.27057 0.764965 ] [ 0.975853 0.267019 0.748398 ] [ 0.024147 0.267019 0.251602 ] [ 0.732981 0.024147 0.001602 ] [ 0.267019 0.024147 0.998398 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Sb" "Sb" "Sb" "Sb" "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" 6.2361205 "source-unit" "angstrom" } "c" { "source-value" 8.62569589 "source-unit" "angstrom" } }