{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.004294 0.797743 0.0052 ] [ 0.001368 0 0.001638 ] [ 0.004294 0.202257 0.0052 ] [ 0.970557 0.409564 0.98911 ] [ 0.970557 0.590436 0.98911 ] [ 0.501042 0.902122 0.501139 ] [ 0.507572 0.291958 0.5143 ] [ 0.501042 0.097878 0.501139 ] [ 0.548557 0.5 0.493623 ] [ 0.507572 0.708042 0.5143 ] [ 0.79864 0.5 0.202088 ] [ 0.703298 0.804033 0.706328 ] [ 0.702932 0 0.702676 ] [ 0.703298 0.195967 0.706328 ] [ 0.685081 0.394765 0.68125 ] [ 0.685081 0.605235 0.68125 ] [ 0.300863 0.801541 0.304304 ] [ 0.300913 0 0.300876 ] [ 0.300863 0.198459 0.304304 ] [ 0.810055 0.900446 0.194835 ] [ 0.810055 0.099554 0.194835 ] [ 0.801704 0.297509 0.197154 ] [ 0.801704 0.702491 0.197154 ] [ 0.295839 0.396748 0.291921 ] [ 0.295839 0.603252 0.291921 ] [ 0.194281 0.900249 0.811179 ] [ 0.193233 0.298736 0.808146 ] [ 0.194281 0.099751 0.811179 ] [ 0.193233 0.701264 0.808146 ] [ 0.21195 0.5 0.789368 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "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" 4.77461518 "source-unit" "angstrom" } "b" { "source-value" 15.41743487 "source-unit" "angstrom" } "c" { "source-value" 4.78551136 "source-unit" "angstrom" } "beta" { "source-value" 94.66565635 "source-unit" "degree" } }