{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.957662 0 0.712146 ] [ 0.042338 0 0.287854 ] [ 0.217917 0 0.664406 ] [ 0.782083 0 0.335594 ] [ 0.130203 0.5 0.969328 ] [ 0.869797 0.5 0.030672 ] [ 0.457662 0.5 0.712146 ] [ 0.542338 0.5 0.287854 ] [ 0.717917 0.5 0.664406 ] [ 0.282083 0.5 0.335594 ] [ 0.630203 0 0.969328 ] [ 0.369797 0 0.030672 ] [ 0.874631 0.5 0.560495 ] [ 0.125369 0.5 0.439505 ] [ 0.794741 0 0.859101 ] [ 0.205259 0 0.140899 ] [ 0.374631 0 0.560495 ] [ 0.625369 0 0.439505 ] [ 0.294741 0.5 0.859101 ] [ 0.705259 0.5 0.140899 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.0014667897 "source-unit" "angstrom" } "b" { "source-value" 4.06922434 "source-unit" "angstrom" } "c" { "source-value" 10.1411416033 "source-unit" "angstrom" } "beta" { "source-value" 95.5836941758 "source-unit" "degree" } }