{ "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" [ [ 0.98919 0.953307 0.749425 ] [ 0.51081 0.453307 0.750575 ] [ 0.48919 0.546693 0.249425 ] [ 0.01081 0.046693 0.250575 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.58272 0.973195 0.271478 ] [ 0.91728 0.473195 0.228522 ] [ 0.41728 0.026805 0.728522 ] [ 0.08272 0.526805 0.771478 ] [ 0.315527 0.270012 0.452486 ] [ 0.184473 0.770012 0.047514 ] [ 0.684473 0.729988 0.547514 ] [ 0.815527 0.229988 0.952486 ] [ 0.728829 0.688756 0.959449 ] [ 0.771171 0.188756 0.540551 ] [ 0.271171 0.311244 0.040551 ] [ 0.228829 0.811244 0.459449 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ca" "Ca" "Ir" "Ir" "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" 5.80122647523 "source-unit" "angstrom" } "b" { "source-value" 5.93881703 "source-unit" "angstrom" } "c" { "source-value" 8.26270563126 "source-unit" "angstrom" } "beta" { "source-value" 90.3511044338 "source-unit" "degree" } }