{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.75147 0.50804 0.157106 ] [ 0.25147 0.00804 0.342894 ] [ 0.75147 0.99196 0.657106 ] [ 0.25147 0.49196 0.842894 ] [ 0.248921 0.260914 0.090322 ] [ 0.748921 0.760914 0.409678 ] [ 0.248921 0.239086 0.590322 ] [ 0.748921 0.739086 0.909678 ] [ 0.750006 0.019056 0.158287 ] [ 0.250006 0.519056 0.341712 ] [ 0.750006 0.480944 0.658288 ] [ 0.250006 0.980944 0.841712 ] [ 0.80654 0.743258 0.063974 ] [ 0.961745 0.294251 0.124698 ] [ 0.408571 0.427121 0.158784 ] [ 0.326897 0.057712 0.151158 ] [ 0.826897 0.557712 0.348842 ] [ 0.908571 0.927121 0.341216 ] [ 0.461745 0.794251 0.375302 ] [ 0.30654 0.243258 0.436026 ] [ 0.80654 0.756742 0.563974 ] [ 0.961745 0.205749 0.624698 ] [ 0.408571 0.072879 0.658784 ] [ 0.326897 0.442288 0.651158 ] [ 0.826897 0.942288 0.848842 ] [ 0.908571 0.572879 0.841216 ] [ 0.461745 0.705749 0.875302 ] [ 0.30654 0.256742 0.936026 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "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" 5.50464345 "source-unit" "angstrom" } "b" { "source-value" 7.2540283 "source-unit" "angstrom" } "c" { "source-value" 10.47141674 "source-unit" "angstrom" } }