In VMD, inorganic builder, how can i build a device for a given unit cell?

15 February 2019 0 5K Report

while giving new material option and browse unit cell, it asked for topology file which i tried to generate using GROMACS but when i upload it and try to build device, it says non-invertible matrix. can anyone pls help building the device. here is the unit cell i intend to make device of

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