{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.498061 ] [ 0 0 0.971123 ] [ 0.333333 0.666667 0.48008 ] [ 0.341771 0.006663 0.988187 ] [ 0.693795 0.007384 0.517847 ] [ 0.993337 0.335108 0.988187 ] [ 0.313589 0.306205 0.517847 ] [ 0.992616 0.686411 0.517847 ] [ 0.664892 0.658229 0.988187 ] [ 0.241127 0.112211 0.764457 ] [ 0.887789 0.128916 0.764457 ] [ 0.871084 0.758873 0.764457 ] [ 0.445203 0.214575 0.264589 ] [ 0.565165 0.10844 0.738286 ] [ 0.543276 0.434835 0.738286 ] [ 0.785425 0.230628 0.264589 ] [ 0.769372 0.554797 0.264589 ] [ 0.112614 0.227242 0.239898 ] [ 0.89156 0.456724 0.738286 ] [ 0.216165 0.443191 0.740796 ] [ 0.097177 0.556981 0.262828 ] [ 0.443019 0.540196 0.262828 ] [ 0.227026 0.783835 0.740796 ] [ 0.114628 0.887386 0.239898 ] [ 0.556809 0.772974 0.740796 ] [ 0.459804 0.902823 0.262828 ] [ 0.772758 0.885372 0.239898 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "O" "O" "O" "F" "F" "F" "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" 8.73828054 "source-unit" "angstrom" } "c" { "source-value" 4.57571341 "source-unit" "angstrom" } }