{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.005735 0.029251 0.249067 ] [ 0.494265 0.529251 0.250933 ] [ 0.994265 0.970749 0.750933 ] [ 0.505735 0.470749 0.749067 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.269603 0.295801 0.035305 ] [ 0.230397 0.795801 0.464695 ] [ 0.730397 0.704199 0.964695 ] [ 0.769603 0.204199 0.535305 ] [ 0.201879 0.771604 0.035801 ] [ 0.298121 0.271604 0.464199 ] [ 0.798121 0.228396 0.964199 ] [ 0.701879 0.728396 0.535801 ] [ 0.932453 0.485363 0.23657 ] [ 0.567547 0.985363 0.26343 ] [ 0.067547 0.514637 0.76343 ] [ 0.432453 0.014637 0.73657 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Tm" "Tm" "Ru" "Ru" "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" 5.79596901167 "source-unit" "angstrom" } "b" { "source-value" 5.81811744 "source-unit" "angstrom" } "c" { "source-value" 8.20363647369 "source-unit" "angstrom" } "beta" { "source-value" 90.2448160741 "source-unit" "degree" } }