{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.635595 0.498919 0.894856 ] [ 0.748967 0.293182 0.851041 ] [ 0.617618 0.46259 0.604646 ] [ 0.251033 0.706818 0.148959 ] [ 0.006493 0.228692 0.660138 ] [ 0.882382 0.96259 0.395354 ] [ 0.506493 0.271308 0.660138 ] [ 0.382382 0.53741 0.395354 ] [ 0.248967 0.206818 0.851041 ] [ 0.117618 0.03741 0.604646 ] [ 0.993507 0.771308 0.339862 ] [ 0.364405 0.501081 0.105144 ] [ 0.864405 0.998919 0.105144 ] [ 0.493507 0.728692 0.339862 ] [ 0.751033 0.793182 0.148959 ] [ 0.135595 0.001081 0.894856 ] [ 0.837868 0.779155 0.464679 ] [ 0.093254 0.164538 0.974869 ] [ 0.337868 0.720845 0.464679 ] [ 0.593254 0.335462 0.974869 ] [ 0.662132 0.279155 0.535321 ] [ 0.162132 0.220845 0.535321 ] [ 0.406746 0.664538 0.025131 ] [ 0.906746 0.835462 0.025131 ] [ 0.778566 0.499756 0.735133 ] [ 0.221434 0.500244 0.264867 ] [ 0.473856 0.504826 0.763285 ] [ 0.870489 0.564981 0.237886 ] [ 0.721434 0.999756 0.264867 ] [ 0.973856 0.995174 0.763285 ] [ 0.629511 0.064981 0.762114 ] [ 0.370489 0.935019 0.237886 ] [ 0.526144 0.495174 0.236715 ] [ 0.026144 0.004826 0.236715 ] [ 0.129511 0.435019 0.762114 ] [ 0.278566 0.000244 0.735133 ] [ 0.929802 0.742561 0.964807 ] [ 0.186563 0.331527 0.482513 ] [ 0.570198 0.242561 0.035193 ] [ 0.813437 0.668473 0.517487 ] [ 0.429802 0.757439 0.964807 ] [ 0.313437 0.831527 0.517487 ] [ 0.686563 0.168473 0.482513 ] [ 0.070198 0.257439 0.035193 ] ] } "species" { "source-value" [ "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "C" "C" "C" "C" "C" "C" "C" "C" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.5116794976 "source-unit" "angstrom" } "b" { "source-value" 6.8537592811 "source-unit" "angstrom" } "c" { "source-value" 14.2443758965 "source-unit" "angstrom" } "beta" { "source-value" 107.534364868 "source-unit" "degree" } }