{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.941607 0 0.200771 ] [ 0.058393 0 0.799229 ] [ 0.441607 0.5 0.200771 ] [ 0.558393 0.5 0.799229 ] [ 0.304376 0 0.412239 ] [ 0.695624 0 0.587761 ] [ 0.804376 0.5 0.412239 ] [ 0.195624 0.5 0.587761 ] [ 0.176774 0.5 0.239318 ] [ 0.823226 0.5 0.760682 ] [ 0.676774 0 0.239318 ] [ 0.323226 0 0.760682 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.81386473 "source-unit" "angstrom" } "b" { "source-value" 3.9989351 "source-unit" "angstrom" } "c" { "source-value" 6.97109357 "source-unit" "angstrom" } "beta" { "source-value" 128.60422311 "source-unit" "degree" } }