{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.003716 0.396014 0.165046 ] [ 0.996284 0.896014 0.334954 ] [ 0.003716 0.103986 0.665046 ] [ 0.996284 0.603986 0.834954 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.539413 0.268337 0.919639 ] [ 0.460587 0.768337 0.580361 ] [ 0.460587 0.731663 0.080361 ] [ 0.539413 0.231663 0.419639 ] [ 0.528208 0.598379 0.337629 ] [ 0.471792 0.098379 0.162371 ] [ 0.528208 0.901621 0.837629 ] [ 0.471792 0.401621 0.662371 ] [ 0.358532 0.222652 0.047773 ] [ 0.641468 0.722652 0.452227 ] [ 0.657994 0.835169 0.69924 ] [ 0.342006 0.335169 0.80076 ] [ 0.342006 0.164831 0.30076 ] [ 0.657994 0.664831 0.19924 ] [ 0.677368 0.087859 0.861776 ] [ 0.322632 0.587859 0.638224 ] [ 0.322632 0.912141 0.138224 ] [ 0.677368 0.412141 0.361776 ] [ 0.214237 0.910556 0.833554 ] [ 0.785763 0.410556 0.666446 ] [ 0.785763 0.089444 0.166446 ] [ 0.214237 0.589444 0.333554 ] [ 0.771277 0.110862 0.458232 ] [ 0.228723 0.610862 0.041768 ] [ 0.228723 0.889138 0.541768 ] [ 0.771277 0.389138 0.958232 ] [ 0.641468 0.777348 0.952227 ] [ 0.358532 0.277348 0.547773 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Cu" "Cu" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "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" 4.59348269176 "source-unit" "angstrom" } "b" { "source-value" 7.26863399 "source-unit" "angstrom" } "c" { "source-value" 9.34457776647 "source-unit" "angstrom" } "beta" { "source-value" 90.3882144325 "source-unit" "degree" } }