{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.426402 0.426402 0 ] [ 0 0.573598 0.666667 ] [ 0.573598 0 0.333333 ] [ 0.369782 0.43384 0.245199 ] [ 0.935942 0.56616 0.421468 ] [ 0.43384 0.369782 0.754801 ] [ 0.064058 0.630218 0.911865 ] [ 0.56616 0.935942 0.578532 ] [ 0.630218 0.064058 0.088135 ] [ 0.704992 0 0.833333 ] [ 0 0.704992 0.166667 ] [ 0.295008 0.295008 0.5 ] [ 0.765195 0.65191 0.835819 ] [ 0.886715 0.234805 0.502486 ] [ 0.34809 0.113285 0.169153 ] [ 0.113285 0.34809 0.830847 ] [ 0.234805 0.886715 0.497514 ] [ 0.65191 0.765195 0.164181 ] [ 0.939587 0.440447 0.04641 ] [ 0.50086 0.060413 0.713077 ] [ 0.060413 0.50086 0.286923 ] [ 0.440447 0.939587 0.95359 ] [ 0.49914 0.559553 0.620257 ] [ 0.559553 0.49914 0.379743 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "S" "S" "S" "S" "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" 6.43650082055 "source-unit" "angstrom" } "c" { "source-value" 15.83099522 "source-unit" "angstrom" } }