{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.714161 0.226436 ] [ 0.25 0.243928 0.577105 ] [ 0.75 0.256072 0.077105 ] [ 0.25 0.743928 0.922895 ] [ 0.75 0.785839 0.726436 ] [ 0.25 0.214161 0.273564 ] [ 0.75 0.285839 0.773564 ] [ 0.75 0.756072 0.422895 ] [ 0.25 0.539629 0.043258 ] [ 0.75 0.460371 0.956742 ] [ 0.25 0.039629 0.456742 ] [ 0.75 0.960371 0.543258 ] [ 0.25 0.966857 0.043712 ] [ 0.75 0.033143 0.956288 ] [ 0.25 0.466857 0.456288 ] [ 0.75 0.533143 0.543712 ] [ 0.25 0.287623 0.868814 ] [ 0.75 0.712377 0.131186 ] [ 0.25 0.787623 0.631186 ] [ 0.75 0.212377 0.368814 ] [ 0.25 0.093143 0.153075 ] [ 0.75 0.877013 0.298043 ] [ 0.25 0.593143 0.346925 ] [ 0.75 0.406857 0.653075 ] [ 0.25 0.622987 0.798043 ] [ 0.75 0.377013 0.201957 ] [ 0.25 0.122987 0.701957 ] [ 0.75 0.906857 0.846925 ] [ 0.25 0.501854 0.701103 ] [ 0.75 0.998146 0.201103 ] [ 0.25 0.001854 0.798897 ] [ 0.75 0.498146 0.298897 ] [ 0.75 0.038724 0.642834 ] [ 0.25 0.961276 0.357166 ] [ 0.75 0.538724 0.857166 ] [ 0.25 0.461276 0.142834 ] [ 0.75 0.256586 0.472611 ] [ 0.25 0.743414 0.527389 ] [ 0.75 0.756586 0.027389 ] [ 0.25 0.243414 0.972611 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Yb" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.47409911 "source-unit" "angstrom" } "b" { "source-value" 7.46167298 "source-unit" "angstrom" } "c" { "source-value" 26.70163495 "source-unit" "angstrom" } }