{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.246758 0.350945 ] [ 0.25 0.753242 0.649055 ] [ 0.75 0.746758 0.149055 ] [ 0.25 0.253242 0.850945 ] [ 0.25 0.922449 0.391129 ] [ 0.75 0.077551 0.608871 ] [ 0.25 0.422449 0.108871 ] [ 0.75 0.577551 0.891129 ] [ 0.75 0.573347 0.389251 ] [ 0.25 0.426653 0.610749 ] [ 0.75 0.073347 0.110749 ] [ 0.25 0.926653 0.889251 ] [ 0.25 0.930129 0.073941 ] [ 0.75 0.069871 0.926059 ] [ 0.25 0.430129 0.426059 ] [ 0.75 0.569871 0.573941 ] [ 0.25 0.018927 0.717227 ] [ 0.75 0.981073 0.282773 ] [ 0.25 0.518927 0.782773 ] [ 0.75 0.481073 0.217227 ] [ 0.25 0.614451 0.018068 ] [ 0.75 0.385549 0.981932 ] [ 0.25 0.114451 0.481932 ] [ 0.75 0.885549 0.518068 ] [ 0.75 0.790596 0.842675 ] [ 0.25 0.209404 0.157325 ] [ 0.75 0.290596 0.657325 ] [ 0.25 0.709404 0.342675 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "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" 3.46456586 "source-unit" "angstrom" } "b" { "source-value" 10.47774618 "source-unit" "angstrom" } "c" { "source-value" 12.16223734 "source-unit" "angstrom" } }