{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.152363 0.304725 0.526273 ] [ 0.460298 0.539702 0.886692 ] [ 0.079405 0.539702 0.886692 ] [ 0.695275 0.847637 0.526273 ] [ 0.460298 0.920595 0.886692 ] [ 0.847637 0.152363 0.026273 ] [ 0.152363 0.847637 0.526273 ] [ 0.539702 0.079405 0.386692 ] [ 0.304725 0.152363 0.026273 ] [ 0.920595 0.460298 0.386692 ] [ 0.539702 0.460298 0.386692 ] [ 0.847637 0.695275 0.026273 ] [ 0.333333 0.666667 0.253015 ] [ 0.666667 0.333333 0.753015 ] [ 0.17836 0.35672 0.133343 ] [ 0.333333 0.666667 0.619348 ] [ 0.64328 0.82164 0.133343 ] [ 0.17836 0.82164 0.133343 ] [ 0.82164 0.17836 0.633343 ] [ 0.35672 0.17836 0.633343 ] [ 0.666667 0.333333 0.119348 ] [ 0.82164 0.64328 0.633343 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.07588748 "source-unit" "angstrom" } "c" { "source-value" 6.28647525 "source-unit" "angstrom" } }