{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.838885 0.665113 0.50306 ] [ 0.838885 0.334887 0.50306 ] [ 0.161115 0.334887 0.00306 ] [ 0.161115 0.665113 0.00306 ] [ 0.338885 0.165113 0.50306 ] [ 0.338885 0.834887 0.50306 ] [ 0.661115 0.834887 0.00306 ] [ 0.661115 0.165113 0.00306 ] [ 0.842224 0 0.538468 ] [ 0.157776 0 0.038468 ] [ 0.342224 0.5 0.538468 ] [ 0.657776 0.5 0.038468 ] [ 0.083964 0 0.374563 ] [ 0.916036 0 0.874563 ] [ 0.71185 0.87031 0.483725 ] [ 0.28815 0.12969 0.983725 ] [ 0.71185 0.12969 0.483725 ] [ 0.28815 0.87031 0.983725 ] [ 0.583964 0.5 0.374563 ] [ 0.416036 0.5 0.874563 ] [ 0.21185 0.37031 0.483725 ] [ 0.78815 0.62969 0.983725 ] [ 0.21185 0.62969 0.483725 ] [ 0.78815 0.37031 0.983725 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Si" "Si" "Si" "Si" "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" 6.15757767467 "source-unit" "angstrom" } "b" { "source-value" 10.6295050732 "source-unit" "angstrom" } "c" { "source-value" 4.87626349 "source-unit" "angstrom" } }