{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.160755 0.327883 0.11015 ] [ 0.839245 0.827883 0.88985 ] [ 0.123679 0.356111 0.706317 ] [ 0.876321 0.856111 0.293683 ] [ 0.388133 0.795446 0.935084 ] [ 0.434729 0.334428 0.408617 ] [ 0.565271 0.834428 0.591383 ] [ 0.611867 0.295446 0.064916 ] [ 0.14996 0.670273 0.963334 ] [ 0.155717 0.295061 0.368791 ] [ 0.413265 0.727182 0.73603 ] [ 0.401224 0.130523 0.960924 ] [ 0.482653 0.669437 0.427319 ] [ 0.517347 0.169437 0.572681 ] [ 0.598776 0.630523 0.039076 ] [ 0.586735 0.227182 0.26397 ] [ 0.844283 0.795061 0.631209 ] [ 0.85004 0.170273 0.036666 ] ] } "species" { "source-value" [ "Li" "Li" "Bi" "Bi" "B" "B" "B" "B" "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" 5.35622268 "source-unit" "angstrom" } "b" { "source-value" 4.39290468 "source-unit" "angstrom" } "c" { "source-value" 7.57957883 "source-unit" "angstrom" } "beta" { "source-value" 95.5167449 "source-unit" "degree" } }