{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.595949 0.368917 0.95017 ] [ 0.904051 0.868917 0.54983 ] [ 0.095949 0.131083 0.45017 ] [ 0.904051 0.868917 0.95017 ] [ 0.404051 0.631083 0.04983 ] [ 0.404051 0.631083 0.45017 ] [ 0.095949 0.131083 0.04983 ] [ 0.595949 0.368917 0.54983 ] [ 0.859863 0.85457 0.75 ] [ 0.359863 0.64543 0.25 ] [ 0.640137 0.35457 0.75 ] [ 0.140137 0.14543 0.25 ] [ 0.094924 0.56178 0.85361 ] [ 0.405076 0.06178 0.85361 ] [ 0.594924 0.93822 0.35361 ] [ 0.905076 0.43822 0.35361 ] [ 0.905076 0.43822 0.14639 ] [ 0.405076 0.06178 0.64639 ] [ 0.594924 0.93822 0.14639 ] [ 0.094924 0.56178 0.64639 ] [ 0.759092 0.474174 0.25 ] [ 0.531652 0.757453 0.353902 ] [ 0.031652 0.742547 0.853902 ] [ 0.968348 0.257453 0.146098 ] [ 0.305442 0.034827 0.356781 ] [ 0.194558 0.534827 0.356781 ] [ 0.694558 0.965173 0.643219 ] [ 0.194558 0.534827 0.143219 ] [ 0.305442 0.034827 0.143219 ] [ 0.468348 0.242547 0.646098 ] [ 0.968348 0.257453 0.353902 ] [ 0.801513 0.985874 0.441322 ] [ 0.198487 0.014126 0.558678 ] [ 0.805442 0.465173 0.856781 ] [ 0.801513 0.985874 0.058678 ] [ 0.301513 0.514126 0.941322 ] [ 0.740908 0.974174 0.25 ] [ 0.698487 0.485874 0.058678 ] [ 0.698487 0.485874 0.441322 ] [ 0.301513 0.514126 0.558678 ] [ 0.240908 0.525826 0.75 ] [ 0.805442 0.465173 0.643219 ] [ 0.198487 0.014126 0.941322 ] [ 0.468348 0.242547 0.853902 ] [ 0.531652 0.757453 0.146098 ] [ 0.694558 0.965173 0.856781 ] [ 0.259092 0.025826 0.75 ] [ 0.031652 0.742547 0.646098 ] [ 0.394369 0.253898 0.031166 ] [ 0.105631 0.753898 0.031166 ] [ 0.605631 0.746102 0.531166 ] [ 0.894369 0.246102 0.531166 ] [ 0.605631 0.746102 0.968834 ] [ 0.394369 0.253898 0.468834 ] [ 0.105631 0.753898 0.468834 ] [ 0.894369 0.246102 0.968834 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" "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" 4.82309899001 "source-unit" "angstrom" } "b" { "source-value" 8.96850795001 "source-unit" "angstrom" } "c" { "source-value" 14.19470607 "source-unit" "angstrom" } }