{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.145165 0.629668 0.647384 ] [ 0.854835 0.629668 0.852616 ] [ 0.854835 0.370332 0.352616 ] [ 0.145165 0.370332 0.147384 ] [ 0.645165 0.129668 0.647384 ] [ 0.354835 0.129668 0.852616 ] [ 0.354835 0.870332 0.352616 ] [ 0.645165 0.870332 0.147384 ] [ 0 0.164526 0.75 ] [ 0 0.835474 0.25 ] [ 0.5 0.664526 0.75 ] [ 0.5 0.335474 0.25 ] [ 0.137317 0.128543 0.497992 ] [ 0.862683 0.871457 0.502008 ] [ 0.137317 0.871457 0.997992 ] [ 0.862683 0.128543 0.002008 ] [ 0.637317 0.628543 0.497992 ] [ 0.362683 0.371457 0.502008 ] [ 0.637317 0.371457 0.997992 ] [ 0.362683 0.628543 0.002008 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Al" "Al" "Al" "Al" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.2536278088 "source-unit" "angstrom" } "b" { "source-value" 5.712361 "source-unit" "angstrom" } "c" { "source-value" 7.81378896919 "source-unit" "angstrom" } "beta" { "source-value" 105.046911449 "source-unit" "degree" } }