{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.018761 0 0.798112 ] [ 0.981239 0 0.201888 ] [ 0.518761 0.5 0.798112 ] [ 0.481239 0.5 0.201888 ] [ 0.316198 0.5 0.435373 ] [ 0.683802 0.5 0.564627 ] [ 0.816198 0 0.435373 ] [ 0.183802 0 0.564627 ] [ 0.790875 0 0.902776 ] [ 0.209125 0 0.097224 ] [ 0.290875 0.5 0.902776 ] [ 0.709125 0.5 0.097224 ] [ 0.112618 0.5 0.262003 ] [ 0.042913 0 0.619317 ] [ 0.887382 0.5 0.737997 ] [ 0.957087 0 0.380683 ] [ 0.273471 0 0.440355 ] [ 0.726529 0 0.559645 ] [ 0.612618 0 0.262003 ] [ 0.542913 0.5 0.619317 ] [ 0.387382 0 0.737997 ] [ 0.457087 0.5 0.380683 ] [ 0.773471 0.5 0.440355 ] [ 0.226529 0.5 0.559645 ] ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" "Ti" "Ti" "Ti" "Ti" "Cl" "Cl" "Cl" "Cl" "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" 9.86301925745 "source-unit" "angstrom" } "b" { "source-value" 3.92857370892 "source-unit" "angstrom" } "c" { "source-value" 12.065974406 "source-unit" "angstrom" } "beta" { "source-value" 125.089666158 "source-unit" "degree" } }