{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2mc" } "basis-atom-coordinates" { "source-value" [ [ 0.200192 0.266559 0.294044 ] [ 0.799808 0.733441 0.294044 ] [ 0.266559 0.799808 0.794044 ] [ 0.733441 0.200192 0.794044 ] [ 0.200192 0.733441 0.294044 ] [ 0.799808 0.266559 0.294044 ] [ 0.266559 0.200192 0.794044 ] [ 0.733441 0.799808 0.794044 ] [ 0 0 0.930751 ] [ 0 0 0.430751 ] [ 0.5 0.5 0.55894 ] [ 0.5 0.5 0.05894 ] [ 0.23325 0.691339 0.049916 ] [ 0.76675 0.308661 0.049916 ] [ 0.308661 0.23325 0.549916 ] [ 0.691339 0.76675 0.549916 ] [ 0.308661 0.76675 0.549916 ] [ 0.691339 0.23325 0.549916 ] [ 0.23325 0.308661 0.049916 ] [ 0.76675 0.691339 0.049916 ] [ 0.5 0.5 0.810031 ] [ 0.5 0.5 0.310031 ] [ 0 0 0.678348 ] [ 0 0 0.178348 ] [ 0 0.5 0.49328 ] [ 0.5 0 0.99328 ] [ 0 0.682742 0.41083 ] [ 0 0.317258 0.41083 ] [ 0.317258 0 0.91083 ] [ 0.682742 0 0.91083 ] [ 0.5 0.185773 0.067837 ] [ 0.5 0.814227 0.067837 ] [ 0.185773 0.5 0.567837 ] [ 0.814227 0.5 0.567837 ] [ 0 0.822807 0.093673 ] [ 0 0.177193 0.093673 ] [ 0.177193 0 0.593673 ] [ 0.822807 0 0.593673 ] [ 0.5 0.285831 0.424384 ] [ 0.5 0.714169 0.424384 ] [ 0.285831 0.5 0.924384 ] [ 0.714169 0.5 0.924384 ] [ 0 0.173055 0.764846 ] [ 0 0.826945 0.764846 ] [ 0.826945 0 0.264846 ] [ 0.173055 0 0.264846 ] [ 0.5 0.720686 0.698437 ] [ 0.5 0.279314 0.698437 ] [ 0.720686 0.5 0.198437 ] [ 0.279314 0.5 0.198437 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Sn" "Sn" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.14681007 "source-unit" "angstrom" } "c" { "source-value" 10.82532776 "source-unit" "angstrom" } }