{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6c2" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] [ 0.666667 0.333333 0.5 ] [ 0.274649 0.253185 0.25 ] [ 0.274649 0.021465 0.75 ] [ 0.746815 0.725351 0.75 ] [ 0.978535 0.725351 0.25 ] [ 0.746815 0.021465 0.25 ] [ 0.978535 0.253185 0.75 ] [ 0.393796 0.366962 0.116279 ] [ 0.393796 0.366962 0.383721 ] [ 0.393796 0.026834 0.616279 ] [ 0.393796 0.026834 0.883721 ] [ 0.633038 0.606204 0.883721 ] [ 0.633038 0.606204 0.616279 ] [ 0.973166 0.606204 0.116279 ] [ 0.973166 0.606204 0.383721 ] [ 0.633038 0.026834 0.383721 ] [ 0.633038 0.026834 0.116279 ] [ 0.018697 0.786049 0.75 ] [ 0.213951 0.981303 0.25 ] [ 0.973166 0.366962 0.616279 ] [ 0.973166 0.366962 0.883721 ] [ 0.018697 0.232648 0.25 ] [ 0.213951 0.232648 0.75 ] [ 0.767352 0.981303 0.75 ] [ 0.767352 0.786049 0.25 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "P" "P" "P" "P" "P" "P" "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" 6.49145512 "source-unit" "angstrom" } "c" { "source-value" 9.70472783 "source-unit" "angstrom" } }