{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-31c" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.654237 0.025721 0.358216 ] [ 0.025721 0.371484 0.641784 ] [ 0.628516 0.974279 0.858216 ] [ 0.025721 0.654237 0.858216 ] [ 0.345763 0.371484 0.858216 ] [ 0.974279 0.345763 0.141784 ] [ 0.628516 0.654237 0.641784 ] [ 0.371484 0.025721 0.141784 ] [ 0.974279 0.628516 0.358216 ] [ 0.371484 0.345763 0.358216 ] [ 0.345763 0.974279 0.641784 ] [ 0.654237 0.628516 0.141784 ] ] } "species" { "source-value" [ "Li" "Li" "Ca" "Ca" "Co" "Co" "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" 5.10063453761 "source-unit" "angstrom" } "c" { "source-value" 9.81474206 "source-unit" "angstrom" } }