{ "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" [ [ 0.46835 0.5 0.226559 ] [ 0.537214 0 0.776242 ] [ 0.967608 0 0.274777 ] [ 0.066836 0.5 0.715837 ] [ 0.075052 0 0.596221 ] [ 0.415717 0 0.096566 ] [ 0.586745 0.5 0.897228 ] [ 0.918631 0.5 0.407593 ] [ 0.154406 0 0.44805 ] [ 0.2237 0.797947 0.673378 ] [ 0.2237 0.202053 0.673378 ] [ 0.228473 0.5 0.38433 ] [ 0.270363 0.5 0.878765 ] [ 0.269851 0.796922 0.172279 ] [ 0.269851 0.203078 0.172279 ] [ 0.345934 0 0.947507 ] [ 0.640751 0.5 0.049457 ] [ 0.729604 0.294636 0.826099 ] [ 0.729604 0.705364 0.826099 ] [ 0.725802 0 0.120144 ] [ 0.765588 0 0.615493 ] [ 0.770765 0.29724 0.332185 ] [ 0.770765 0.70276 0.332185 ] [ 0.844688 0.5 0.557349 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Co" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.86004633 "source-unit" "angstrom" } "b" { "source-value" 5.89075535 "source-unit" "angstrom" } "c" { "source-value" 9.9383193 "source-unit" "angstrom" } "beta" { "source-value" 90.12505613 "source-unit" "degree" } }