{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.850601 ] [ 0 0 0.149399 ] [ 0.5 0.5 0.350601 ] [ 0.5 0.5 0.649399 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.771394 0.228606 0 ] [ 0.228606 0.228606 0 ] [ 0.771394 0.771394 0 ] [ 0.228606 0.771394 0 ] [ 0.271394 0.728606 0.5 ] [ 0.728606 0.728606 0.5 ] [ 0.271394 0.271394 0.5 ] [ 0.728606 0.271394 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "I" "I" "I" "I" "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" 5.68403655133 "source-unit" "angstrom" } "c" { "source-value" 17.4826135103 "source-unit" "angstrom" } }