{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.659443 0.009592 ] [ 0.75 0.159443 0.490408 ] [ 0.25 0.840557 0.509592 ] [ 0.75 0.340557 0.990408 ] [ 0.032305 0.031125 0.145372 ] [ 0.467695 0.031125 0.145372 ] [ 0.967695 0.531125 0.354628 ] [ 0.532305 0.531125 0.354628 ] [ 0.032305 0.468875 0.645372 ] [ 0.467695 0.468875 0.645372 ] [ 0.532305 0.968875 0.854628 ] [ 0.967695 0.968875 0.854628 ] [ 0.75 0.802061 0.171401 ] [ 0.25 0.302061 0.328599 ] [ 0.75 0.697939 0.671401 ] [ 0.25 0.197939 0.828599 ] [ 0.75 0.995594 0.013166 ] [ 0.499463 0.774363 0.248921 ] [ 0.000537 0.774363 0.248921 ] [ 0.999463 0.274363 0.251079 ] [ 0.500537 0.274363 0.251079 ] [ 0.25 0.495594 0.486834 ] [ 0.75 0.504406 0.513166 ] [ 0.499463 0.725637 0.748921 ] [ 0.000537 0.725637 0.748921 ] [ 0.999463 0.225637 0.751079 ] [ 0.500537 0.225637 0.751079 ] [ 0.25 0.004406 0.986834 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "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" 6.90096531 "source-unit" "angstrom" } "b" { "source-value" 7.26070681 "source-unit" "angstrom" } "c" { "source-value" 7.96304778 "source-unit" "angstrom" } }