{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.689154 ] [ 0.666667 0.333333 0.310846 ] [ 0 0 0 ] [ 0.333333 0.666667 0.239871 ] [ 0.666667 0.333333 0.760129 ] [ 0.045585 0.685927 0.164185 ] [ 0.314073 0.359658 0.164185 ] [ 0.666667 0.333333 0.560543 ] [ 0.640342 0.954415 0.164185 ] [ 0.685927 0.640342 0.835815 ] [ 0.954415 0.314073 0.835815 ] [ 0.333333 0.666667 0.439457 ] [ 0.359658 0.045585 0.835815 ] ] } "species" { "source-value" [ "Li" "Li" "Mo" "P" "P" "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" 4.94598200782 "source-unit" "angstrom" } "c" { "source-value" 7.44784200221 "source-unit" "angstrom" } }