{ "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" [ [ 0.952587 0.625369 0.992024 ] [ 0.027646 0.875526 0.029303 ] [ 0.027646 0.124474 0.029303 ] [ 0.952587 0.374631 0.992024 ] [ 0.445226 0 0.519157 ] [ 0.538368 0.5 0.50149 ] [ 0.52726 0.750373 0.473989 ] [ 0.52726 0.249627 0.473989 ] [ 0.812123 0.753611 0.183772 ] [ 0.812123 0.246389 0.183772 ] [ 0.799069 0.5 0.181344 ] [ 0.688849 0.371408 0.679502 ] [ 0.688849 0.628592 0.679502 ] [ 0.310565 0.873046 0.322003 ] [ 0.310565 0.126954 0.322003 ] [ 0.182762 0 0.830539 ] [ 0.801125 0 0.219754 ] [ 0.699831 0.877608 0.706231 ] [ 0.699831 0.122392 0.706231 ] [ 0.299903 0.376044 0.290185 ] [ 0.299903 0.623956 0.290185 ] [ 0.20231 0.251397 0.801164 ] [ 0.191303 0.5 0.791368 ] [ 0.20231 0.748603 0.801164 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.75330955 "source-unit" "angstrom" } "b" { "source-value" 12.26487478 "source-unit" "angstrom" } "c" { "source-value" 4.76836867 "source-unit" "angstrom" } "beta" { "source-value" 90.09027268 "source-unit" "degree" } }