{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.337707 0.688615 ] [ 0.75 0.662293 0.311385 ] [ 0.75 0.837707 0.811385 ] [ 0.25 0.162293 0.188615 ] [ 0.25 0.696869 0.056563 ] [ 0.75 0.303131 0.943437 ] [ 0.75 0.196869 0.443437 ] [ 0.25 0.803131 0.556563 ] [ 0.75 0.125646 0.57666 ] [ 0.555747 0.301599 0.425983 ] [ 0.055747 0.801599 0.074017 ] [ 0.25 0.934633 0.657156 ] [ 0.25 0.565367 0.157156 ] [ 0.75 0.374354 0.07666 ] [ 0.444253 0.801599 0.074017 ] [ 0.555747 0.198401 0.925983 ] [ 0.25 0.625646 0.92334 ] [ 0.444253 0.698401 0.574017 ] [ 0.944253 0.198401 0.925983 ] [ 0.055747 0.698401 0.574017 ] [ 0.75 0.065367 0.342844 ] [ 0.75 0.434633 0.842844 ] [ 0.25 0.874354 0.42334 ] [ 0.944253 0.301599 0.425983 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cl" "Cl" "Cl" "Cl" "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" 6.1466756 "source-unit" "angstrom" } "b" { "source-value" 8.01869712 "source-unit" "angstrom" } "c" { "source-value" 10.04956524 "source-unit" "angstrom" } }