{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.657746 0.842254 0.506565 ] [ 0.157746 0.657746 0.493435 ] [ 0.842254 0.342254 0.493435 ] [ 0.342254 0.157746 0.506565 ] [ 0.364728 0.864728 0.049049 ] [ 0.864728 0.635272 0.950951 ] [ 0.635272 0.135272 0.049049 ] [ 0.135272 0.364728 0.950951 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.917369 0.828877 0.780606 ] [ 0.171123 0.917369 0.219394 ] [ 0.582631 0.328877 0.219394 ] [ 0.417369 0.671123 0.219394 ] [ 0.328877 0.417369 0.780606 ] [ 0.671123 0.582631 0.780606 ] [ 0 0.5 0.809914 ] [ 0.5 0 0.190086 ] [ 0.141982 0.358018 0.282224 ] [ 0.641982 0.141982 0.717776 ] [ 0.358018 0.858018 0.717776 ] [ 0.858018 0.641982 0.282224 ] [ 0.082631 0.171123 0.780606 ] [ 0.828877 0.082631 0.219394 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Be" "Be" "Be" "Be" "Ge" "Ge" "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" 7.40368645 "source-unit" "angstrom" } "c" { "source-value" 4.79803575 "source-unit" "angstrom" } }