unit-cell volume          =     375.1622 (a.u.)^3
     new unit-cell volume =    398.24112 a.u.^3 (    59.01324 Ang^3 )
     new unit-cell volume =    379.97331 a.u.^3 (    56.30624 Ang^3 )
     new unit-cell volume =    375.47804 a.u.^3 (    55.64010 Ang^3 )
     new unit-cell volume =    375.95217 a.u.^3 (    55.71036 Ang^3 )
     new unit-cell volume =    376.66411 a.u.^3 (    55.81586 Ang^3 )
     new unit-cell volume =    377.73372 a.u.^3 (    55.97436 Ang^3 )
     new unit-cell volume =    379.34191 a.u.^3 (    56.21267 Ang^3 )
     new unit-cell volume =    381.76275 a.u.^3 (    56.57140 Ang^3 )
     new unit-cell volume =    385.41329 a.u.^3 (    57.11236 Ang^3 )
     new unit-cell volume =    383.58015 a.u.^3 (    56.84071 Ang^3 )
     new unit-cell volume =    382.67612 a.u.^3 (    56.70675 Ang^3 )
     new unit-cell volume =    384.04890 a.u.^3 (    56.91018 Ang^3 )
     new unit-cell volume =    383.36164 a.u.^3 (    56.80833 Ang^3 )
     new unit-cell volume =    383.01968 a.u.^3 (    56.75766 Ang^3 )
     new unit-cell volume =    382.84860 a.u.^3 (    56.73231 Ang^3 )
     new unit-cell volume =    382.76279 a.u.^3 (    56.71959 Ang^3 )
     new unit-cell volume =    382.71969 a.u.^3 (    56.71321 Ang^3 )
     new unit-cell volume =    403.96062 a.u.^3 (    59.86079 Ang^3 )
     new unit-cell volume =    386.61928 a.u.^3 (    57.29107 Ang^3 )
     new unit-cell volume =    384.61939 a.u.^3 (    56.99471 Ang^3 )
     new unit-cell volume =    383.64367 a.u.^3 (    56.85013 Ang^3 )
     new unit-cell volume =    383.16030 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    382.87726 a.u.^3 (    56.73656 Ang^3 )
     new unit-cell volume =    382.77718 a.u.^3 (    56.72173 Ang^3 )
     new unit-cell volume =    382.72692 a.u.^3 (    56.71428 Ang^3 )
     new unit-cell volume =    403.96048 a.u.^3 (    59.86077 Ang^3 )
     new unit-cell volume =    386.61924 a.u.^3 (    57.29106 Ang^3 )
     new unit-cell volume =    384.61937 a.u.^3 (    56.99471 Ang^3 )
     new unit-cell volume =    383.64366 a.u.^3 (    56.85013 Ang^3 )
     new unit-cell volume =    383.16030 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    382.87726 a.u.^3 (    56.73656 Ang^3 )
     new unit-cell volume =    382.77718 a.u.^3 (    56.72173 Ang^3 )
     new unit-cell volume =    382.72692 a.u.^3 (    56.71428 Ang^3 )
     new unit-cell volume =    403.96048 a.u.^3 (    59.86077 Ang^3 )
     new unit-cell volume =    386.61924 a.u.^3 (    57.29106 Ang^3 )
     new unit-cell volume =    384.61937 a.u.^3 (    56.99471 Ang^3 )
     new unit-cell volume =    383.64366 a.u.^3 (    56.85012 Ang^3 )
     new unit-cell volume =    383.16030 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    384.61943 a.u.^3 (    56.99472 Ang^3 )
     new unit-cell volume =    383.64369 a.u.^3 (    56.85013 Ang^3 )
     new unit-cell volume =    383.16031 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    382.87726 a.u.^3 (    56.73656 Ang^3 )
     new unit-cell volume =    382.77718 a.u.^3 (    56.72173 Ang^3 )
     new unit-cell volume =    382.72692 a.u.^3 (    56.71428 Ang^3 )
     new unit-cell volume =    403.96048 a.u.^3 (    59.86077 Ang^3 )
     new unit-cell volume =    386.61924 a.u.^3 (    57.29106 Ang^3 )
     new unit-cell volume =    384.61937 a.u.^3 (    56.99471 Ang^3 )
     new unit-cell volume =    383.64366 a.u.^3 (    56.85012 Ang^3 )
     new unit-cell volume =    383.16030 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    384.61943 a.u.^3 (    56.99472 Ang^3 )
     new unit-cell volume =    383.64369 a.u.^3 (    56.85013 Ang^3 )
     new unit-cell volume =    383.16031 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    384.61943 a.u.^3 (    56.99472 Ang^3 )
     new unit-cell volume =    383.64369 a.u.^3 (    56.85013 Ang^3 )
     new unit-cell volume =    383.16031 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    384.61943 a.u.^3 (    56.99472 Ang^3 )
     new unit-cell volume =    383.64369 a.u.^3 (    56.85013 Ang^3 )
     new unit-cell volume =    383.16031 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    384.61943 a.u.^3 (    56.99472 Ang^3 )
     new unit-cell volume =    383.64369 a.u.^3 (    56.85013 Ang^3 )
     new unit-cell volume =    383.16031 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    384.61943 a.u.^3 (    56.99472 Ang^3 )
     new unit-cell volume =    383.64369 a.u.^3 (    56.85013 Ang^3 )
     new unit-cell volume =    383.16031 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    382.87726 a.u.^3 (    56.73656 Ang^3 )
     new unit-cell volume =    382.77718 a.u.^3 (    56.72173 Ang^3 )
     new unit-cell volume =    382.72692 a.u.^3 (    56.71428 Ang^3 )
     new unit-cell volume =    403.96048 a.u.^3 (    59.86077 Ang^3 )
     new unit-cell volume =    386.61924 a.u.^3 (    57.29106 Ang^3 )
     new unit-cell volume =    384.61937 a.u.^3 (    56.99471 Ang^3 )
     new unit-cell volume =    383.64366 a.u.^3 (    56.85012 Ang^3 )
     new unit-cell volume =    383.16030 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    384.61943 a.u.^3 (    56.99472 Ang^3 )
     new unit-cell volume =    383.64369 a.u.^3 (    56.85013 Ang^3 )
     new unit-cell volume =    383.16031 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    384.61943 a.u.^3 (    56.99472 Ang^3 )
     new unit-cell volume =    383.64369 a.u.^3 (    56.85013 Ang^3 )
     new unit-cell volume =    383.16031 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )
     new unit-cell volume =    384.61943 a.u.^3 (    56.99472 Ang^3 )
     new unit-cell volume =    383.64369 a.u.^3 (    56.85013 Ang^3 )
     new unit-cell volume =    383.16031 a.u.^3 (    56.77850 Ang^3 )
     new unit-cell volume =    382.91903 a.u.^3 (    56.74275 Ang^3 )
     new unit-cell volume =    382.79814 a.u.^3 (    56.72483 Ang^3 )
     new unit-cell volume =    382.73745 a.u.^3 (    56.71584 Ang^3 )
     new unit-cell volume =    382.70696 a.u.^3 (    56.71132 Ang^3 )
     new unit-cell volume =    403.96086 a.u.^3 (    59.86082 Ang^3 )
     new unit-cell volume =    386.61935 a.u.^3 (    57.29108 Ang^3 )