{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.25 ] [ 0 0 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0.319558 0.174261 ] [ 0.680442 0.5 0.825739 ] [ 0.819558 0 0.325739 ] [ 0 0.180442 0.674261 ] [ 0.5 0.819558 0.575739 ] [ 0.680442 0 0.924261 ] [ 0.819558 0.5 0.424261 ] [ 0 0.680442 0.075739 ] [ 0 0.819558 0.674261 ] [ 0.180442 0 0.325739 ] [ 0.319558 0.5 0.825739 ] [ 0.5 0.680442 0.174261 ] [ 0 0.319558 0.075739 ] [ 0.180442 0.5 0.424261 ] [ 0.319558 0 0.924261 ] [ 0.5 0.180442 0.575739 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "As" "As" "As" "As" "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" 7.23825908 "source-unit" "angstrom" } "c" { "source-value" 6.42983296 "source-unit" "angstrom" } }