{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.25448 ] [ 0 0.25 0.74552 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.25 0.230828 ] [ 0.5 0.5 0.5 ] [ 0 0.75 0.769172 ] [ 0 0.956232 0.625474 ] [ 0.5 0.25 0.865274 ] [ 0.5 0.75 0.873502 ] [ 0 0.01131 0.877606 ] [ 0 0.98869 0.122394 ] [ 0 0.51131 0.122394 ] [ 0.5 0.75 0.134726 ] [ 0.5 0.25 0.126498 ] [ 0.5 0.75 0.391886 ] [ 0 0.043768 0.374526 ] [ 0 0.456232 0.374526 ] [ 0 0.543768 0.625474 ] [ 0.5 0.25 0.608114 ] [ 0 0.48869 0.877606 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Y" "Y" "Y" "Y" "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" 3.75973893 "source-unit" "angstrom" } "b" { "source-value" 7.79788750136 "source-unit" "angstrom" } "c" { "source-value" 10.9062250214 "source-unit" "angstrom" } }