{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.248705 0.25 ] [ 0 0.751295 0.75 ] [ 0.5 0.748705 0.25 ] [ 0.5 0.251295 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.970762 0.75 ] [ 0.5 0.029238 0.25 ] [ 0 0.470762 0.75 ] [ 0 0.529238 0.25 ] [ 0.5 0.137794 0.43847 ] [ 0 0.077415 0.75 ] [ 0.5 0.862206 0.93847 ] [ 0.5 0.137794 0.06153 ] [ 0 0.922585 0.25 ] [ 0.5 0.862206 0.56153 ] [ 0 0.637794 0.43847 ] [ 0.5 0.577415 0.75 ] [ 0 0.362206 0.93847 ] [ 0 0.637794 0.06153 ] [ 0.5 0.422585 0.25 ] [ 0 0.362206 0.56153 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Lu" "Lu" "Lu" "Lu" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.05943019 "source-unit" "angstrom" } "b" { "source-value" 13.5476285 "source-unit" "angstrom" } "c" { "source-value" 10.44620234 "source-unit" "angstrom" } }