{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_322" } "basis-atom-coordinates" { "source-value" [ [ 0.737366 0 0.25 ] [ 0.262634 0 0.75 ] [ 0 0.262634 0.5 ] [ 0 0.737366 0 ] [ 0.735722 0.5 0.25 ] [ 0.264278 0.5 0.75 ] [ 0.5 0.735722 0 ] [ 0.5 0.264278 0.5 ] [ 0.759015 0 0.75 ] [ 0.240985 0 0.25 ] [ 0 0.240985 0 ] [ 0 0.759015 0.5 ] [ 0.5 0.756573 0.5 ] [ 0.243427 0.5 0.25 ] [ 0.756573 0.5 0.75 ] [ 0.5 0.243427 0 ] [ 0.56262 0.43738 0.875 ] [ 0.557543 0.051425 0.86833 ] [ 0.442457 0.948575 0.36833 ] [ 0.557543 0.948575 0.63167 ] [ 0.041642 0.958358 0.375 ] [ 0.228274 0.752151 0.179251 ] [ 0.247849 0.771726 0.570749 ] [ 0.771726 0.752151 0.820749 ] [ 0.051425 0.557543 0.38167 ] [ 0.43738 0.56262 0.375 ] [ 0.56262 0.56262 0.625 ] [ 0.948575 0.442457 0.88167 ] [ 0.051425 0.442457 0.11833 ] [ 0.43738 0.43738 0.125 ] [ 0.771726 0.247849 0.679251 ] [ 0.752151 0.228274 0.070749 ] [ 0.228274 0.247849 0.320749 ] [ 0.247849 0.228274 0.929251 ] [ 0.958358 0.041642 0.875 ] [ 0.442457 0.051425 0.13167 ] [ 0.041642 0.041642 0.125 ] [ 0.958358 0.958358 0.625 ] [ 0.752151 0.771726 0.429251 ] [ 0.948575 0.557543 0.61833 ] [ 0.741934 0.741934 0.125 ] [ 0.258066 0.258066 0.625 ] [ 0.741934 0.258066 0.375 ] [ 0.258066 0.741934 0.875 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Na" "Na" "Na" "Na" "Ti" "Ti" "Ti" "Ti" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.36969207342 "source-unit" "angstrom" } "c" { "source-value" 10.4568394115 "source-unit" "angstrom" } }