{ "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 0.534364 0.368133 ] [ 0.75 0.465636 0.631867 ] [ 0.75 0.034364 0.131867 ] [ 0.25 0.965636 0.868133 ] [ 0.25 0.335805 0.096919 ] [ 0.75 0.664195 0.903081 ] [ 0.75 0.835805 0.403081 ] [ 0.25 0.164195 0.596919 ] [ 0.25 0.782985 0.135154 ] [ 0.75 0.217015 0.864846 ] [ 0.75 0.282985 0.364846 ] [ 0.25 0.717015 0.635154 ] [ 0.25 0.08385 0.303063 ] [ 0.75 0.91615 0.696937 ] [ 0.75 0.58385 0.196937 ] [ 0.25 0.41615 0.803063 ] [ 0.002537 0.232454 0.272055 ] [ 0.502537 0.767546 0.727945 ] [ 0.997463 0.732454 0.227945 ] [ 0.497463 0.267546 0.772055 ] [ 0.997463 0.767546 0.727945 ] [ 0.497463 0.232454 0.272055 ] [ 0.002537 0.267546 0.772055 ] [ 0.502537 0.732454 0.227945 ] [ 0.25 0.006424 0.161366 ] [ 0.75 0.993576 0.838634 ] [ 0.75 0.506424 0.338634 ] [ 0.25 0.493576 0.661366 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" 6.21533998 "source-unit" "angstrom" } "b" { "source-value" 9.17799808 "source-unit" "angstrom" } "c" { "source-value" 13.96071479 "source-unit" "angstrom" } }