{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.355073 0.25 ] [ 0 0.644927 0.75 ] [ 0.5 0.855073 0.25 ] [ 0.5 0.144927 0.75 ] [ 0.260569 0.970737 0.25 ] [ 0.260569 0.029263 0.75 ] [ 0 0.256004 0.056121 ] [ 0 0.256004 0.443879 ] [ 0 0.743996 0.556121 ] [ 0 0.743996 0.943879 ] [ 0.739431 0.970737 0.25 ] [ 0.739431 0.029263 0.75 ] [ 0.760569 0.470737 0.25 ] [ 0.760569 0.529263 0.75 ] [ 0.5 0.756004 0.056121 ] [ 0.5 0.756004 0.443879 ] [ 0.5 0.243996 0.556121 ] [ 0.5 0.243996 0.943879 ] [ 0.239431 0.470737 0.25 ] [ 0.239431 0.529263 0.75 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Se" "Se" "Se" "Se" "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" 5.72845634 "source-unit" "angstrom" } "b" { "source-value" 8.71948778 "source-unit" "angstrom" } "c" { "source-value" 7.30807213 "source-unit" "angstrom" } }