{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.387894 0.75 0.5 ] [ 0.387894 0.75 0 ] [ 0.612106 0.25 0.5 ] [ 0.612106 0.25 0 ] [ 0.888797 0.966698 0.75 ] [ 0.888797 0.533302 0.25 ] [ 0.111203 0.466698 0.75 ] [ 0.111203 0.033302 0.25 ] [ 0.114843 0.25 0 ] [ 0.885157 0.75 0 ] [ 0.885157 0.75 0.5 ] [ 0.114843 0.25 0.5 ] [ 0.591346 0.592303 0.75 ] [ 0.591346 0.907697 0.25 ] [ 0.408654 0.092303 0.75 ] [ 0.408654 0.407697 0.25 ] [ 0.273119 0.072766 0.466503 ] [ 0.273119 0.427234 0.533497 ] [ 0.726881 0.572766 0.033497 ] [ 0.726881 0.927234 0.966503 ] [ 0.726881 0.927234 0.533497 ] [ 0.726881 0.572766 0.466503 ] [ 0.273119 0.427234 0.966503 ] [ 0.273119 0.072766 0.033497 ] [ 0.049976 0.764954 0.383286 ] [ 0.049976 0.764954 0.116714 ] [ 0.950024 0.264954 0.116714 ] [ 0.950024 0.235046 0.883286 ] [ 0.950024 0.235046 0.616714 ] [ 0.950024 0.264954 0.383286 ] [ 0.049976 0.735046 0.883286 ] [ 0.049976 0.735046 0.616714 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Si" "Si" "Si" "Si" "Te" "Te" "Te" "Te" "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" 6.23913265 "source-unit" "angstrom" } "b" { "source-value" 7.11513007 "source-unit" "angstrom" } "c" { "source-value" 11.20458827 "source-unit" "angstrom" } }