{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3cm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.282745 ] [ 0 0 0.782745 ] [ 0.333333 0.666667 0.239002 ] [ 0.666667 0.333333 0.739002 ] [ 0.333333 0.666667 0.739002 ] [ 0.666667 0.333333 0.239002 ] [ 0.333539 0 0.007864 ] [ 0.333539 0.333539 0.507864 ] [ 0 0.666461 0.507864 ] [ 0 0.333539 0.007864 ] [ 0.666461 0.666461 0.007864 ] [ 0.666461 0 0.507864 ] [ 0.307581 0 0.17247 ] [ 0.307581 0.307581 0.67247 ] [ 0 0.692419 0.67247 ] [ 0 0.307581 0.17247 ] [ 0.692419 0.692419 0.17247 ] [ 0.692419 0 0.67247 ] [ 0.641456 0 0.343361 ] [ 0.641456 0.641456 0.843361 ] [ 0 0.358544 0.843361 ] [ 0 0.641456 0.343361 ] [ 0.358544 0.358544 0.343361 ] [ 0.358544 0 0.843361 ] [ 0 0 0.483876 ] [ 0 0 0.983876 ] [ 0.333333 0.666667 0.028147 ] [ 0.666667 0.333333 0.528147 ] [ 0.333333 0.666667 0.528147 ] [ 0.666667 0.333333 0.028147 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "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" 6.22788137026 "source-unit" "angstrom" } "c" { "source-value" 11.56132277 "source-unit" "angstrom" } }