{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.362946 0.25 ] [ 0 0.637054 0.75 ] [ 0.5 0.862946 0.25 ] [ 0.5 0.137054 0.75 ] [ 0.259729 0.029428 0.75 ] [ 0.259729 0.970572 0.25 ] [ 0 0.26258 0.07292 ] [ 0 0.26258 0.42708 ] [ 0 0.73742 0.57292 ] [ 0 0.73742 0.92708 ] [ 0.740271 0.970572 0.25 ] [ 0.740271 0.029428 0.75 ] [ 0.759729 0.529428 0.75 ] [ 0.759729 0.470572 0.25 ] [ 0.5 0.76258 0.07292 ] [ 0.5 0.76258 0.42708 ] [ 0.5 0.23742 0.57292 ] [ 0.5 0.23742 0.92708 ] [ 0.240271 0.470572 0.25 ] [ 0.240271 0.529428 0.75 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Se" "Se" "Se" "Se" "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" 5.90653046 "source-unit" "angstrom" } "b" { "source-value" 9.03160604 "source-unit" "angstrom" } "c" { "source-value" 7.99607214 "source-unit" "angstrom" } }