{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.76943 0.515273 0.217271 ] [ 0.23057 0.015273 0.782729 ] [ 0.207671 0.23754 0.333576 ] [ 0.792329 0.73754 0.666424 ] [ 0.283017 0.745312 0.434557 ] [ 0.716983 0.245312 0.565443 ] [ 0.273594 0.255668 0.079516 ] [ 0.726406 0.755668 0.920484 ] [ 0.678424 0.749239 0.048384 ] [ 0.051428 0.249726 0.134575 ] [ 0.450721 0.266089 0.189325 ] [ 0.207397 0.949771 0.319879 ] [ 0.191856 0.543865 0.325016 ] [ 0.877204 0.25917 0.410065 ] [ 0.597088 0.730495 0.476596 ] [ 0.402912 0.230495 0.523404 ] [ 0.122796 0.75917 0.589935 ] [ 0.808144 0.043865 0.674984 ] [ 0.792603 0.449771 0.680121 ] [ 0.549279 0.766089 0.810675 ] [ 0.948572 0.749726 0.865425 ] [ 0.321576 0.249239 0.951616 ] ] } "species" { "source-value" [ "Na" "Na" "Cr" "Cr" "As" "As" "C" "C" "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" 5.37264476 "source-unit" "angstrom" } "b" { "source-value" 6.47245533 "source-unit" "angstrom" } "c" { "source-value" 9.26561309 "source-unit" "angstrom" } "beta" { "source-value" 92.7266271 "source-unit" "degree" } }