{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.573218 0.75 ] [ 0.25 0.426782 0.25 ] [ 0.238115 0.996737 0.550681 ] [ 0.761885 0.003263 0.449319 ] [ 0.738115 0.003263 0.050681 ] [ 0.261885 0.996737 0.949319 ] [ 0.587415 0.120518 0.824056 ] [ 0.932747 0.058676 0.769855 ] [ 0.25 0.503755 0.75 ] [ 0.52001 0.675294 0.948735 ] [ 0.75 0.704124 0.25 ] [ 0.067253 0.941324 0.230145 ] [ 0.25 0.710869 0.75 ] [ 0.412585 0.879482 0.175944 ] [ 0.364831 0.502992 0.498871 ] [ 0.452406 0.004209 0.364355 ] [ 0.02001 0.324706 0.448735 ] [ 0.97999 0.675294 0.551265 ] [ 0.864831 0.497008 0.998871 ] [ 0.47999 0.324706 0.051265 ] [ 0.75 0.289131 0.25 ] [ 0.567253 0.058676 0.730145 ] [ 0.432747 0.941324 0.269855 ] [ 0.5 0.5 0.5 ] [ 0.912585 0.120518 0.675944 ] [ 0.087415 0.879482 0.324056 ] [ 0.25 0.295876 0.75 ] [ 0.75 0.496245 0.25 ] [ 0.047594 0.004209 0.135645 ] [ 0.635169 0.497008 0.501129 ] [ 0.952406 0.995791 0.864355 ] [ 0.5 0.5 0 ] [ 0.547594 0.995791 0.635645 ] [ 0 0.5 0.5 ] [ 0.135169 0.502992 0.001129 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Ba" "Ba" "Ba" "Ba" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.79118392953 "source-unit" "angstrom" } "b" { "source-value" 5.70691429 "source-unit" "angstrom" } "c" { "source-value" 11.8769647534 "source-unit" "angstrom" } "beta" { "source-value" 90.1796332801 "source-unit" "degree" } }