{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.700109 ] [ 0 0 0.014503 ] [ 0.847348 0.152652 0.21743 ] [ 0.305304 0.152652 0.21743 ] [ 0.150695 0.30139 0.783552 ] [ 0.847348 0.694696 0.21743 ] [ 0.69861 0.849305 0.783552 ] [ 0.150695 0.849305 0.783552 ] ] } "species" { "source-value" [ "Li" "V" "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" 5.68549272 "source-unit" "angstrom" } "c" { "source-value" 4.84209403 "source-unit" "angstrom" } }