{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.758042 0.25 0.066155 ] [ 0.245251 0.009971 0.235623 ] [ 0.245251 0.490029 0.235623 ] [ 0.754749 0.509971 0.764377 ] [ 0.754749 0.990029 0.764377 ] [ 0.241958 0.75 0.933845 ] [ 0.768246 0.75 0.338146 ] [ 0.231754 0.25 0.661854 ] [ 0.729726 0.75 0.053323 ] [ 0.270274 0.25 0.946677 ] [ 0.703314 0.25 0.402764 ] [ 0.296686 0.75 0.597236 ] [ 0.28751 0.25 0.088306 ] [ 0.959929 0.75 0.129049 ] [ 0.5193 0.75 0.140522 ] [ 0.815585 0.067129 0.306862 ] [ 0.815585 0.432871 0.306862 ] [ 0.387033 0.25 0.399511 ] [ 0.207473 0.75 0.420109 ] [ 0.792527 0.25 0.579891 ] [ 0.612967 0.75 0.600489 ] [ 0.184415 0.567129 0.693138 ] [ 0.184415 0.932871 0.693138 ] [ 0.4807 0.25 0.859478 ] [ 0.040071 0.25 0.870951 ] [ 0.71249 0.75 0.911694 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Bi" "Bi" "B" "B" "As" "As" "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" 5.40328265 "source-unit" "angstrom" } "b" { "source-value" 7.33367991 "source-unit" "angstrom" } "c" { "source-value" 9.48213221 "source-unit" "angstrom" } "beta" { "source-value" 91.04410211 "source-unit" "degree" } }