{ "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 0.799422 ] [ 0.666667 0.333333 0.487202 ] [ 0.333333 0.666667 0.194488 ] [ 0 0 0.328062 ] [ 0 0 0.661842 ] [ 0 0 0.99598 ] [ 0.333333 0.666667 0.495568 ] [ 0.666667 0.333333 0.145608 ] [ 0.666667 0.333333 0.847826 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.92560694972 "source-unit" "angstrom" } "c" { "source-value" 10.81041007 "source-unit" "angstrom" } }