{ "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" [ [ 0.886365 0 0.881276 ] [ 0.113635 0 0.118724 ] [ 0.158629 0.5 0.870705 ] [ 0.064242 0.5 0.369361 ] [ 0.919966 0 0.117525 ] [ 0.013666 0 0.619154 ] [ 0.080034 0 0.882475 ] [ 0.209474 0 0.627769 ] [ 0.035392 0.5 0.131113 ] [ 0.935758 0.5 0.630639 ] [ 0.986334 0 0.380846 ] [ 0.964608 0.5 0.868887 ] [ 0.841371 0.5 0.129295 ] [ 0.870983 0.5 0.364224 ] [ 0.129017 0.5 0.635776 ] [ 0.790526 0 0.372231 ] [ 0.386365 0.5 0.881276 ] [ 0.613635 0.5 0.118724 ] [ 0.658629 0 0.870705 ] [ 0.564242 0 0.369361 ] [ 0.419966 0.5 0.117525 ] [ 0.513666 0.5 0.619154 ] [ 0.580034 0.5 0.882475 ] [ 0.709474 0.5 0.627769 ] [ 0.535392 0 0.131113 ] [ 0.435758 0 0.630639 ] [ 0.486334 0.5 0.380846 ] [ 0.464608 0 0.868887 ] [ 0.341371 0 0.129295 ] [ 0.370983 0 0.364224 ] [ 0.629017 0 0.635776 ] [ 0.290526 0.5 0.372231 ] [ 0.231071 0.5 0.136838 ] [ 0.768929 0.5 0.863162 ] [ 0.18071 0 0.389541 ] [ 0.81929 0 0.610459 ] [ 0.731071 0 0.136838 ] [ 0.268929 0 0.863162 ] [ 0.68071 0.5 0.389541 ] [ 0.31929 0.5 0.610459 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 26.3861064657 "source-unit" "angstrom" } "b" { "source-value" 4.48431662 "source-unit" "angstrom" } "c" { "source-value" 13.5251934536 "source-unit" "angstrom" } "beta" { "source-value" 104.740528297 "source-unit" "degree" } }