{ "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" [ [ 0.333333 0.666667 0.981898 ] [ 0.666667 0.333333 0.481898 ] [ 0.333333 0.666667 0.375249 ] [ 0.666667 0.333333 0.875249 ] [ 0.829856 0.170144 0.18484 ] [ 0.659712 0.829856 0.68484 ] [ 0.170144 0.340288 0.68484 ] [ 0.829856 0.659712 0.18484 ] [ 0.340288 0.170144 0.18484 ] [ 0.170144 0.829856 0.68484 ] [ 0 0 0.940027 ] [ 0 0 0.440027 ] [ 0.830352 0.169648 0.998673 ] [ 0.660703 0.830352 0.498673 ] [ 0.169648 0.339297 0.498673 ] [ 0.830352 0.660703 0.998673 ] [ 0.339297 0.169648 0.998673 ] [ 0.169648 0.830352 0.498673 ] [ 0 0 0.74015 ] [ 0 0 0.24015 ] [ 0.505303 0.494697 0.258313 ] [ 0.010606 0.505303 0.758313 ] [ 0.494697 0.989394 0.758313 ] [ 0.505303 0.010606 0.258313 ] [ 0.494697 0.505303 0.758313 ] [ 0.989394 0.494697 0.258313 ] ] } "species" { "source-value" [ "Ba" "Ba" "Lu" "Lu" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.33937739888 "source-unit" "angstrom" } "c" { "source-value" 10.32753701 "source-unit" "angstrom" } }