{ "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" [ [ 0.080797 0.758857 0.996981 ] [ 0.509739 0.5123 0.022867 ] [ 0.919203 0.258857 0.003019 ] [ 0.490261 0.0123 0.977133 ] [ 0.743076 0.752425 0.345037 ] [ 0.4012 0.746539 0.669051 ] [ 0.79949 0.497243 0.653623 ] [ 0.151975 0.506116 0.337488 ] [ 0.256924 0.252425 0.654963 ] [ 0.5988 0.246539 0.330949 ] [ 0.848025 0.006116 0.662512 ] [ 0.20051 0.997243 0.346377 ] [ 0.655557 0.910598 0.90651 ] [ 0.509599 0.877802 0.501374 ] [ 0.029691 0.887509 0.522939 ] [ 0.217286 0.883897 0.94665 ] [ 0.842138 0.710804 0.815324 ] [ 0.036005 0.787824 0.194983 ] [ 0.302228 0.643612 0.03681 ] [ 0.041038 0.637172 0.511773 ] [ 0.526029 0.627385 0.487416 ] [ 0.757155 0.583003 0.18366 ] [ 0.460908 0.520216 0.799934 ] [ 0.344443 0.410598 0.09349 ] [ 0.970309 0.387509 0.477061 ] [ 0.490401 0.377802 0.498626 ] [ 0.782714 0.383897 0.05335 ] [ 0.157862 0.210804 0.184676 ] [ 0.963995 0.287824 0.805017 ] [ 0.697772 0.143612 0.96319 ] [ 0.473971 0.127385 0.512584 ] [ 0.958962 0.137172 0.488227 ] [ 0.539092 0.020216 0.200066 ] [ 0.242845 0.083003 0.81634 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "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" 5.71642766 "source-unit" "angstrom" } "b" { "source-value" 11.32979689 "source-unit" "angstrom" } "c" { "source-value" 8.13828667 "source-unit" "angstrom" } "beta" { "source-value" 109.18124215 "source-unit" "degree" } }