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A project was created within Materials Studio. Crystal structure file (cif) was loaded into the project and the crystal was built. Bonds in the molecule were built and verified to be chemically correct. The Morphology module was open to prepare for the morphology calculation. In the open dialogue window, we chose the task of Growth morphology; energy method of Forcite; quality of fine; electrostatic summation method of Ewald; van der Waals summation of atom based; a minimum dhkl of 1.3 Å; maximum of 3 for h, k, and 1. When Dreiding force field was used, we chose charges of Qeq; when cvff and COMPASS force fields were used, we chose force field assigned charges.
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