{ "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" [ [ 0.995909 0.75 0.222162 ] [ 0.495909 0.25 0.277838 ] [ 0.004091 0.25 0.777838 ] [ 0.504091 0.75 0.722162 ] [ 0.5 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.944865 0.75 0.902784 ] [ 0.444865 0.25 0.597216 ] [ 0.055135 0.25 0.097216 ] [ 0.555135 0.75 0.402784 ] [ 0.825188 0.75 0.044894 ] [ 0.325188 0.25 0.455106 ] [ 0.174812 0.25 0.955106 ] [ 0.674812 0.75 0.544894 ] [ 0.207837 0.043076 0.173699 ] [ 0.707837 0.956924 0.326301 ] [ 0.792163 0.543076 0.826301 ] [ 0.292163 0.456924 0.673699 ] [ 0.792163 0.956924 0.826301 ] [ 0.292163 0.043076 0.673699 ] [ 0.207837 0.456924 0.173699 ] [ 0.707837 0.543076 0.326301 ] [ 0.229377 0.75 0.389272 ] [ 0.729377 0.25 0.110728 ] [ 0.770623 0.25 0.610728 ] [ 0.270623 0.75 0.889272 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Na" "Na" "Na" "Na" "Ge" "Ge" "Ge" "Ge" "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" 5.34247451 "source-unit" "angstrom" } "b" { "source-value" 6.54042545 "source-unit" "angstrom" } "c" { "source-value" 11.56776589 "source-unit" "angstrom" } }