{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.102998 ] [ 0 0 0.00414 ] [ 0 0 0.50414 ] [ 0.666667 0.333333 0.602998 ] [ 0.333333 0.666667 0.517352 ] [ 0.666667 0.333333 0.017352 ] [ 0.169603 0.339205 0.789085 ] [ 0.169603 0.830397 0.789085 ] [ 0.660795 0.830397 0.789085 ] [ 0.339205 0.169603 0.289085 ] [ 0.830397 0.169603 0.289085 ] [ 0.830397 0.660795 0.289085 ] [ 0.166898 0.333797 0.399791 ] [ 0.043121 0.521561 0.655549 ] [ 0.333333 0.666667 0.896871 ] [ 0 0 0.69142 ] [ 0 0 0.19142 ] [ 0.166898 0.833102 0.399791 ] [ 0.478439 0.521561 0.655549 ] [ 0.478439 0.956879 0.655549 ] [ 0.333797 0.166898 0.899791 ] [ 0.666203 0.833102 0.399791 ] [ 0.521561 0.043121 0.155549 ] [ 0.521561 0.478439 0.155549 ] [ 0.666667 0.333333 0.396871 ] [ 0.833102 0.166898 0.899791 ] [ 0.956879 0.478439 0.155549 ] [ 0.833102 0.666203 0.899791 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.88301332 "source-unit" "angstrom" } "c" { "source-value" 9.36752805 "source-unit" "angstrom" } }