{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_221" } "basis-atom-coordinates" { "source-value" [ [ 0 0.562989 0.833333 ] [ 0.562989 0 0.166667 ] [ 0.437011 0.437011 0.5 ] [ 0.927357 0.562928 0.078897 ] [ 0.364429 0.437072 0.254437 ] [ 0.072643 0.635571 0.58777 ] [ 0.635571 0.072643 0.41223 ] [ 0.437072 0.364429 0.745563 ] [ 0.562928 0.927357 0.921103 ] [ 0.704981 0 0.666667 ] [ 0 0.704981 0.333333 ] [ 0.295019 0.295019 0 ] [ 0.646892 0.764133 0.338003 ] [ 0.235867 0.882759 0.00467 ] [ 0.117241 0.353108 0.671337 ] [ 0.882759 0.235867 0.99533 ] [ 0.353108 0.117241 0.328663 ] [ 0.764133 0.646892 0.661997 ] [ 0.955122 0.440778 0.454019 ] [ 0.559222 0.514344 0.120686 ] [ 0.440778 0.955122 0.545981 ] [ 0.514344 0.559222 0.879314 ] [ 0.044878 0.485656 0.212648 ] [ 0.485656 0.044878 0.787352 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "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" 6.34706514902 "source-unit" "angstrom" } "c" { "source-value" 15.58948175 "source-unit" "angstrom" } }