{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.244912 0.760829 0.489988 ] [ 0.244912 0.239171 0.489988 ] [ 0.500949 0 0.003136 ] [ 0.004829 0 0.007659 ] [ 0.744912 0.260829 0.489988 ] [ 0.744912 0.739171 0.489988 ] [ 0.000949 0.5 0.003136 ] [ 0.504829 0.5 0.007659 ] [ 0.151077 0 0.310882 ] [ 0.653746 0 0.302303 ] [ 0.350007 0 0.703351 ] [ 0.651077 0.5 0.310882 ] [ 0.153746 0.5 0.302303 ] [ 0.850007 0.5 0.703351 ] [ 0.898767 0.741277 0.200332 ] [ 0.898767 0.258723 0.200332 ] [ 0.850161 0 0.694994 ] [ 0.100936 0.26158 0.798518 ] [ 0.100936 0.73842 0.798518 ] [ 0.398767 0.241277 0.200332 ] [ 0.398767 0.758723 0.200332 ] [ 0.350161 0.5 0.694994 ] [ 0.600936 0.76158 0.798518 ] [ 0.600936 0.23842 0.798518 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.5832804 "source-unit" "angstrom" } "b" { "source-value" 6.17823808 "source-unit" "angstrom" } "c" { "source-value" 4.79999392 "source-unit" "angstrom" } "beta" { "source-value" 94.29943632 "source-unit" "degree" } }