{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.992841 0.001135 0.669272 ] [ 0.992841 0.498865 0.669272 ] [ 0.492841 0.501135 0.830728 ] [ 0.507159 0.498865 0.169272 ] [ 0.007159 0.501135 0.330728 ] [ 0.507159 0.001135 0.169272 ] [ 0.492841 0.998865 0.830728 ] [ 0.007159 0.998865 0.330728 ] [ 0.062436 0.25 0.04503 ] [ 0.437564 0.25 0.54503 ] [ 0.562436 0.75 0.45497 ] [ 0.937564 0.75 0.95497 ] [ 0.775088 0.75 0.784636 ] [ 0.88787 0.454633 0.907063 ] [ 0.691834 0.25 0.670535 ] [ 0.61213 0.454633 0.407063 ] [ 0.38787 0.545367 0.592937 ] [ 0.724912 0.75 0.284636 ] [ 0.890938 0.75 0.511435 ] [ 0.609062 0.75 0.011435 ] [ 0.275088 0.25 0.715364 ] [ 0.88787 0.045367 0.907063 ] [ 0.308166 0.75 0.329465 ] [ 0.808166 0.25 0.170535 ] [ 0.224912 0.25 0.215364 ] [ 0.38787 0.954633 0.592937 ] [ 0.390938 0.25 0.988565 ] [ 0.109062 0.25 0.488565 ] [ 0.61213 0.045367 0.407063 ] [ 0.11213 0.954633 0.092937 ] [ 0.191834 0.75 0.829465 ] [ 0.11213 0.545367 0.092937 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Bi" "Bi" "Bi" "Bi" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.70982052 "source-unit" "angstrom" } "b" { "source-value" 7.5671134 "source-unit" "angstrom" } "c" { "source-value" 11.61122938 "source-unit" "angstrom" } }