{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.11157 0.282088 0.5 ] [ 0.282088 0.88843 0.5 ] [ 0.717912 0.11157 0.5 ] [ 0.88843 0.717912 0.5 ] [ 0.5 0.5 0.5 ] [ 0.399608 0.19997 0 ] [ 0.600392 0.80003 0 ] [ 0.19997 0.600392 0 ] [ 0.80003 0.399608 0 ] [ 0 0 0 ] [ 0.400999 0.710851 0 ] [ 0.074379 0.78692 0 ] [ 0.584254 0.833733 0.5 ] [ 0.21308 0.074379 0 ] [ 0.710851 0.599001 0 ] [ 0.599001 0.289149 0 ] [ 0.925621 0.21308 0 ] [ 0.415746 0.166267 0.5 ] [ 0.833733 0.415746 0.5 ] [ 0.166267 0.584254 0.5 ] [ 0.78692 0.925621 0 ] [ 0 0 0.5 ] [ 0.289149 0.400999 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 8.77507118 "source-unit" "angstrom" } "c" { "source-value" 3.87884928 "source-unit" "angstrom" } }