{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.060787 ] [ 0.666667 0.333333 0.560787 ] [ 0.333333 0.666667 0.439213 ] [ 0.666667 0.333333 0.939213 ] [ 0.615787 0.755291 0.75 ] [ 0.860496 0.615787 0.25 ] [ 0.755291 0.139504 0.25 ] [ 0.244709 0.860496 0.75 ] [ 0.139504 0.384213 0.75 ] [ 0.384213 0.244709 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.25729 0.221721 0.385995 ] [ 0.035569 0.25729 0.885995 ] [ 0.221721 0.964431 0.885995 ] [ 0.778279 0.035569 0.385995 ] [ 0.964431 0.74271 0.385995 ] [ 0.74271 0.778279 0.885995 ] [ 0.74271 0.778279 0.614005 ] [ 0.964431 0.74271 0.114005 ] [ 0.778279 0.035569 0.114005 ] [ 0.221721 0.964431 0.614005 ] [ 0.035569 0.25729 0.614005 ] [ 0.25729 0.221721 0.114005 ] [ 0.497625 0.088653 0.25 ] [ 0.408972 0.497625 0.75 ] [ 0.088653 0.591028 0.75 ] [ 0.911347 0.408972 0.25 ] [ 0.591028 0.502375 0.25 ] [ 0.502375 0.911347 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Si" "Si" "Si" "Si" "Si" "Si" "Sn" "Sn" "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" 7.09817367896 "source-unit" "angstrom" } "c" { "source-value" 10.19764565 "source-unit" "angstrom" } }