# -*- coding: utf-8 -*- # ------------------------------------------------------------- # Two-probe Configuration # ------------------------------------------------------------- # ------------------------------------------------------------- # Left Electrode # ------------------------------------------------------------- # Set up lattice vector_a = [23.5682135465, 0.0, 0.0]*Angstrom vector_b = [0.0, 23.5682135465, 0.0]*Angstrom vector_c = [0.0, 0.0, 7.38300513133]*Angstrom left_electrode_lattice = UnitCell(vector_a, vector_b, vector_c) # Define elements left_electrode_elements = [Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon] # Define coordinates left_electrode_coordinates = [[ 11.074974517595, 5.037164046737, 0.615250427611], [ 9.687702488659, 5.332037819308, 0.615250427611], [ 13.880511057834, 5.332037819308, 0.615250427611], [ 15.17616015987 , 5.908897965629, 0.615250427611], [ 7.244653294461, 6.742532929222, 0.615250427611], [ 6.295649102036, 7.796508861955, 0.615250427611], [ 17.272564444457, 7.796508861955, 0.615250427611], [ 17.981696700108, 9.024761958028, 0.615250427611], [ 5.148249009873, 10.373611663333, 0.615250427611], [ 5. , 11.784106773247, 0.615250427611], [ 18.568213546493, 11.784106773247, 0.615250427611], [ 18.41996453662 , 13.19460188316 , 0.615250427611], [ 5.586516846385, 14.543451588465, 0.615250427611], [ 6.295649102036, 15.771704684538, 0.615250427611], [ 17.272564444457, 15.771704684538, 0.615250427611], [ 16.323560252032, 16.825680617271, 0.615250427611], [ 8.392053386623, 17.659315580864, 0.615250427611], [ 9.687702488659, 18.236175727185, 0.615250427611], [ 13.880511057834, 18.236175727185, 0.615250427611], [ 12.493239028898, 18.531049499756, 0.615250427611], [ 11.784106773247, 5. , 1.845751282832], [ 13.19460188316 , 5.148249009873, 1.845751282832], [ 9.024761958028, 5.586516846385, 1.845751282832], [ 7.796508861955, 6.295649102036, 1.845751282832], [ 15.771704684538, 6.295649102036, 1.845751282832], [ 16.825680617271, 7.244653294461, 1.845751282832], [ 5.908897965629, 8.392053386623, 1.845751282832], [ 5.332037819308, 9.687702488659, 1.845751282832], [ 18.236175727185, 9.687702488659, 1.845751282832], [ 18.531049499756, 11.074974517595, 1.845751282832], [ 5.037164046737, 12.493239028898, 1.845751282832], [ 5.332037819308, 13.880511057834, 1.845751282832], [ 18.236175727185, 13.880511057834, 1.845751282832], [ 17.659315580864, 15.17616015987 , 1.845751282832], [ 6.742532929222, 16.323560252032, 1.845751282832], [ 7.796508861955, 17.272564444457, 1.845751282832], [ 15.771704684538, 17.272564444457, 1.845751282832], [ 14.543451588465, 17.981696700108, 1.845751282832], [ 10.373611663333, 18.41996453662 , 1.845751282832], [ 11.784106773247, 18.568213546493, 1.845751282832], [ 11.074974517595, 5.037164046737, 3.076252138053], [ 9.687702488659, 5.332037819308, 3.076252138053], [ 13.880511057834, 5.332037819308, 3.076252138053], [ 15.17616015987 , 5.908897965629, 3.076252138053], [ 7.244653294461, 6.742532929222, 3.076252138053], [ 6.295649102036, 7.796508861955, 3.076252138053], [ 17.272564444457, 7.796508861955, 3.076252138053], [ 17.981696700108, 9.024761958028, 3.076252138053], [ 5.148249009873, 10.373611663333, 3.076252138053], [ 5. , 11.784106773247, 3.076252138053], [ 18.568213546493, 11.784106773247, 3.076252138053], [ 18.41996453662 , 13.19460188316 , 3.076252138053], [ 5.586516846385, 14.543451588465, 3.076252138053], [ 6.295649102036, 15.771704684538, 3.076252138053], [ 17.272564444457, 15.771704684538, 3.076252138053], [ 16.323560252032, 16.825680617271, 3.076252138053], [ 8.392053386623, 17.659315580864, 3.076252138053], [ 9.687702488659, 18.236175727185, 3.076252138053], [ 13.880511057834, 18.236175727185, 3.076252138053], [ 12.493239028898, 18.531049499756, 3.076252138053], [ 11.784106773247, 5. , 4.306752993274], [ 13.19460188316 , 5.148249009873, 4.306752993274], [ 9.024761958028, 5.586516846385, 4.306752993274], [ 7.796508861955, 6.295649102036, 4.306752993274], [ 15.771704684538, 6.295649102036, 4.306752993274], [ 16.825680617271, 7.244653294461, 4.306752993274], [ 5.908897965629, 8.392053386623, 4.306752993274], [ 5.332037819308, 9.687702488659, 4.306752993274], [ 18.236175727185, 9.687702488659, 4.306752993274], [ 18.531049499756, 11.074974517595, 4.306752993274], [ 5.037164046737, 12.493239028898, 4.306752993274], [ 5.332037819308, 13.880511057834, 4.306752993274], [ 18.236175727185, 13.880511057834, 4.306752993274], [ 17.659315580864, 15.17616015987 , 4.306752993274], [ 6.742532929222, 16.323560252032, 4.306752993274], [ 7.796508861955, 17.272564444457, 4.306752993274], [ 15.771704684538, 17.272564444457, 4.306752993274], [ 14.543451588465, 17.981696700108, 4.306752993274], [ 10.373611663333, 18.41996453662 , 4.306752993274], [ 11.784106773247, 18.568213546493, 4.306752993274], [ 11.074974517595, 5.037164046737, 5.537253848495], [ 9.687702488659, 5.332037819308, 5.537253848495], [ 13.880511057834, 5.332037819308, 5.537253848495], [ 15.17616015987 , 5.908897965629, 5.537253848495], [ 7.244653294461, 6.742532929222, 5.537253848495], [ 6.295649102036, 7.796508861955, 5.537253848495], [ 17.272564444457, 7.796508861955, 5.537253848495], [ 17.981696700108, 9.024761958028, 5.537253848495], [ 5.148249009873, 10.373611663333, 5.537253848495], [ 5. , 11.784106773247, 5.537253848495], [ 18.568213546493, 11.784106773247, 5.537253848495], [ 18.41996453662 , 13.19460188316 , 5.537253848495], [ 5.586516846385, 14.543451588465, 5.537253848495], [ 6.295649102036, 15.771704684538, 5.537253848495], [ 17.272564444457, 15.771704684538, 5.537253848495], [ 16.323560252032, 16.825680617271, 5.537253848495], [ 8.392053386623, 17.659315580864, 5.537253848495], [ 9.687702488659, 18.236175727185, 5.537253848495], [ 13.880511057834, 18.236175727185, 5.537253848495], [ 12.493239028898, 18.531049499756, 5.537253848495], [ 11.784106773247, 5. , 6.767754703716], [ 13.19460188316 , 5.148249009873, 6.767754703716], [ 9.024761958028, 5.586516846385, 6.767754703716], [ 7.796508861955, 6.295649102036, 6.767754703716], [ 15.771704684538, 6.295649102036, 6.767754703716], [ 16.825680617271, 7.244653294461, 6.767754703716], [ 5.908897965629, 8.392053386623, 6.767754703716], [ 5.332037819308, 9.687702488659, 6.767754703716], [ 18.236175727185, 9.687702488659, 6.767754703716], [ 18.531049499756, 11.074974517595, 6.767754703716], [ 5.037164046737, 12.493239028898, 6.767754703716], [ 5.332037819308, 13.880511057834, 6.767754703716], [ 18.236175727185, 13.880511057834, 6.767754703716], [ 17.659315580864, 15.17616015987 , 6.767754703716], [ 6.742532929222, 16.323560252032, 6.767754703716], [ 7.796508861955, 17.272564444457, 6.767754703716], [ 15.771704684538, 17.272564444457, 6.767754703716], [ 14.543451588465, 17.981696700108, 6.767754703716], [ 10.373611663333, 18.41996453662 , 6.767754703716], [ 11.784106773247, 18.568213546493, 6.767754703716]]*Angstrom # Set up configuration left_electrode = BulkConfiguration( bravais_lattice=left_electrode_lattice, elements=left_electrode_elements, cartesian_coordinates=left_electrode_coordinates ) # ------------------------------------------------------------- # Right Electrode # ------------------------------------------------------------- # Set up lattice vector_a = [23.5682135465, 0.0, 0.0]*Angstrom vector_b = [0.0, 23.5682135465, 0.0]*Angstrom vector_c = [0.0, 0.0, 7.38300513133]*Angstrom right_electrode_lattice = UnitCell(vector_a, vector_b, vector_c) # Define elements right_electrode_elements = [Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon] # Define coordinates right_electrode_coordinates = [[ 11.074974517595, 5.037164046737, 0.615250427611], [ 9.687702488659, 5.332037819308, 0.615250427611], [ 13.880511057834, 5.332037819308, 0.615250427611], [ 15.17616015987 , 5.908897965629, 0.615250427611], [ 7.244653294461, 6.742532929222, 0.615250427611], [ 6.295649102036, 7.796508861955, 0.615250427611], [ 17.272564444457, 7.796508861955, 0.615250427611], [ 17.981696700108, 9.024761958028, 0.615250427611], [ 5.148249009873, 10.373611663333, 0.615250427611], [ 5. , 11.784106773247, 0.615250427611], [ 18.568213546493, 11.784106773247, 0.615250427611], [ 18.41996453662 , 13.19460188316 , 0.615250427611], [ 5.586516846385, 14.543451588465, 0.615250427611], [ 6.295649102036, 15.771704684538, 0.615250427611], [ 17.272564444457, 15.771704684538, 0.615250427611], [ 16.323560252032, 16.825680617271, 0.615250427611], [ 8.392053386623, 17.659315580864, 0.615250427611], [ 9.687702488659, 18.236175727185, 0.615250427611], [ 13.880511057834, 18.236175727185, 0.615250427611], [ 12.493239028898, 18.531049499756, 0.615250427611], [ 11.784106773247, 5. , 1.845751282832], [ 13.19460188316 , 5.148249009873, 1.845751282832], [ 9.024761958028, 5.586516846385, 1.845751282832], [ 7.796508861955, 6.295649102036, 1.845751282832], [ 15.771704684538, 6.295649102036, 1.845751282832], [ 16.825680617271, 7.244653294461, 1.845751282832], [ 5.908897965629, 8.392053386623, 1.845751282832], [ 5.332037819308, 9.687702488659, 1.845751282832], [ 18.236175727185, 9.687702488659, 1.845751282832], [ 18.531049499756, 11.074974517595, 1.845751282832], [ 5.037164046737, 12.493239028898, 1.845751282832], [ 5.332037819308, 13.880511057834, 1.845751282832], [ 18.236175727185, 13.880511057834, 1.845751282832], [ 17.659315580864, 15.17616015987 , 1.845751282832], [ 6.742532929222, 16.323560252032, 1.845751282832], [ 7.796508861955, 17.272564444457, 1.845751282832], [ 15.771704684538, 17.272564444457, 1.845751282832], [ 14.543451588465, 17.981696700108, 1.845751282832], [ 10.373611663333, 18.41996453662 , 1.845751282832], [ 11.784106773247, 18.568213546493, 1.845751282832], [ 11.074974517595, 5.037164046737, 3.076252138053], [ 9.687702488659, 5.332037819308, 3.076252138053], [ 13.880511057834, 5.332037819308, 3.076252138053], [ 15.17616015987 , 5.908897965629, 3.076252138053], [ 7.244653294461, 6.742532929222, 3.076252138053], [ 6.295649102036, 7.796508861955, 3.076252138053], [ 17.272564444457, 7.796508861955, 3.076252138053], [ 17.981696700108, 9.024761958028, 3.076252138053], [ 5.148249009873, 10.373611663333, 3.076252138053], [ 5. , 11.784106773247, 3.076252138053], [ 18.568213546493, 11.784106773247, 3.076252138053], [ 18.41996453662 , 13.19460188316 , 3.076252138053], [ 5.586516846385, 14.543451588465, 3.076252138053], [ 6.295649102036, 15.771704684538, 3.076252138053], [ 17.272564444457, 15.771704684538, 3.076252138053], [ 16.323560252032, 16.825680617271, 3.076252138053], [ 8.392053386623, 17.659315580864, 3.076252138053], [ 9.687702488659, 18.236175727185, 3.076252138053], [ 13.880511057834, 18.236175727185, 3.076252138053], [ 12.493239028898, 18.531049499756, 3.076252138053], [ 11.784106773247, 5. , 4.306752993274], [ 13.19460188316 , 5.148249009873, 4.306752993274], [ 9.024761958028, 5.586516846385, 4.306752993274], [ 7.796508861955, 6.295649102036, 4.306752993274], [ 15.771704684538, 6.295649102036, 4.306752993274], [ 16.825680617271, 7.244653294461, 4.306752993274], [ 5.908897965629, 8.392053386623, 4.306752993274], [ 5.332037819308, 9.687702488659, 4.306752993274], [ 18.236175727185, 9.687702488659, 4.306752993274], [ 18.531049499756, 11.074974517595, 4.306752993274], [ 5.037164046737, 12.493239028898, 4.306752993274], [ 5.332037819308, 13.880511057834, 4.306752993274], [ 18.236175727185, 13.880511057834, 4.306752993274], [ 17.659315580864, 15.17616015987 , 4.306752993274], [ 6.742532929222, 16.323560252032, 4.306752993274], [ 7.796508861955, 17.272564444457, 4.306752993274], [ 15.771704684538, 17.272564444457, 4.306752993274], [ 14.543451588465, 17.981696700108, 4.306752993274], [ 10.373611663333, 18.41996453662 , 4.306752993274], [ 11.784106773247, 18.568213546493, 4.306752993274], [ 11.074974517595, 5.037164046737, 5.537253848495], [ 9.687702488659, 5.332037819308, 5.537253848495], [ 13.880511057834, 5.332037819308, 5.537253848495], [ 15.17616015987 , 5.908897965629, 5.537253848495], [ 7.244653294461, 6.742532929222, 5.537253848495], [ 6.295649102036, 7.796508861955, 5.537253848495], [ 17.272564444457, 7.796508861955, 5.537253848495], [ 17.981696700108, 9.024761958028, 5.537253848495], [ 5.148249009873, 10.373611663333, 5.537253848495], [ 5. , 11.784106773247, 5.537253848495], [ 18.568213546493, 11.784106773247, 5.537253848495], [ 18.41996453662 , 13.19460188316 , 5.537253848495], [ 5.586516846385, 14.543451588465, 5.537253848495], [ 6.295649102036, 15.771704684538, 5.537253848495], [ 17.272564444457, 15.771704684538, 5.537253848495], [ 16.323560252032, 16.825680617271, 5.537253848495], [ 8.392053386623, 17.659315580864, 5.537253848495], [ 9.687702488659, 18.236175727185, 5.537253848495], [ 13.880511057834, 18.236175727185, 5.537253848495], [ 12.493239028898, 18.531049499756, 5.537253848495], [ 11.784106773247, 5. , 6.767754703716], [ 13.19460188316 , 5.148249009873, 6.767754703716], [ 9.024761958028, 5.586516846385, 6.767754703716], [ 7.796508861955, 6.295649102036, 6.767754703716], [ 15.771704684538, 6.295649102036, 6.767754703716], [ 16.825680617271, 7.244653294461, 6.767754703716], [ 5.908897965629, 8.392053386623, 6.767754703716], [ 5.332037819308, 9.687702488659, 6.767754703716], [ 18.236175727185, 9.687702488659, 6.767754703716], [ 18.531049499756, 11.074974517595, 6.767754703716], [ 5.037164046737, 12.493239028898, 6.767754703716], [ 5.332037819308, 13.880511057834, 6.767754703716], [ 18.236175727185, 13.880511057834, 6.767754703716], [ 17.659315580864, 15.17616015987 , 6.767754703716], [ 6.742532929222, 16.323560252032, 6.767754703716], [ 7.796508861955, 17.272564444457, 6.767754703716], [ 15.771704684538, 17.272564444457, 6.767754703716], [ 14.543451588465, 17.981696700108, 6.767754703716], [ 10.373611663333, 18.41996453662 , 6.767754703716], [ 11.784106773247, 18.568213546493, 6.767754703716]]*Angstrom # Set up configuration right_electrode = BulkConfiguration( bravais_lattice=right_electrode_lattice, elements=right_electrode_elements, cartesian_coordinates=right_electrode_coordinates ) # ------------------------------------------------------------- # Central Region # ------------------------------------------------------------- # Set up lattice vector_a = [23.5682135465, 0.0, 0.0]*Angstrom vector_b = [0.0, 23.5682135465, 0.0]*Angstrom vector_c = [0.0, 0.0, 24.6100171044]*Angstrom central_region_lattice = UnitCell(vector_a, vector_b, vector_c) # Define elements central_region_elements = [Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon, Carbon] # Define coordinates central_region_coordinates = [[ 11.074974517595, 5.037164046737, 0.615250427611], [ 9.687702488659, 5.332037819308, 0.615250427611], [ 13.880511057834, 5.332037819308, 0.615250427611], [ 15.17616015987 , 5.908897965629, 0.615250427611], [ 7.244653294461, 6.742532929222, 0.615250427611], [ 6.295649102036, 7.796508861955, 0.615250427611], [ 17.272564444457, 7.796508861955, 0.615250427611], [ 17.981696700108, 9.024761958028, 0.615250427611], [ 5.148249009873, 10.373611663333, 0.615250427611], [ 5. , 11.784106773247, 0.615250427611], [ 18.568213546493, 11.784106773247, 0.615250427611], [ 18.41996453662 , 13.19460188316 , 0.615250427611], [ 5.586516846385, 14.543451588465, 0.615250427611], [ 6.295649102036, 15.771704684538, 0.615250427611], [ 17.272564444457, 15.771704684538, 0.615250427611], [ 16.323560252032, 16.825680617271, 0.615250427611], [ 8.392053386623, 17.659315580864, 0.615250427611], [ 9.687702488659, 18.236175727185, 0.615250427611], [ 13.880511057834, 18.236175727185, 0.615250427611], [ 12.493239028898, 18.531049499756, 0.615250427611], [ 11.784106773247, 5. , 1.845751282832], [ 13.19460188316 , 5.148249009873, 1.845751282832], [ 9.024761958028, 5.586516846385, 1.845751282832], [ 7.796508861955, 6.295649102036, 1.845751282832], [ 15.771704684538, 6.295649102036, 1.845751282832], [ 16.825680617271, 7.244653294461, 1.845751282832], [ 5.908897965629, 8.392053386623, 1.845751282832], [ 5.332037819308, 9.687702488659, 1.845751282832], [ 18.236175727185, 9.687702488659, 1.845751282832], [ 18.531049499756, 11.074974517595, 1.845751282832], [ 5.037164046737, 12.493239028898, 1.845751282832], [ 5.332037819308, 13.880511057834, 1.845751282832], [ 18.236175727185, 13.880511057834, 1.845751282832], [ 17.659315580864, 15.17616015987 , 1.845751282832], [ 6.742532929222, 16.323560252032, 1.845751282832], [ 7.796508861955, 17.272564444457, 1.845751282832], [ 15.771704684538, 17.272564444457, 1.845751282832], [ 14.543451588465, 17.981696700108, 1.845751282832], [ 10.373611663333, 18.41996453662 , 1.845751282832], [ 11.784106773247, 18.568213546493, 1.845751282832], [ 11.074974517595, 5.037164046737, 3.076252138053], [ 9.687702488659, 5.332037819308, 3.076252138053], [ 13.880511057834, 5.332037819308, 3.076252138053], [ 15.17616015987 , 5.908897965629, 3.076252138053], [ 7.244653294461, 6.742532929222, 3.076252138053], [ 6.295649102036, 7.796508861955, 3.076252138053], [ 17.272564444457, 7.796508861955, 3.076252138053], [ 17.981696700108, 9.024761958028, 3.076252138053], [ 5.148249009873, 10.373611663333, 3.076252138053], [ 5. , 11.784106773247, 3.076252138053], [ 18.568213546493, 11.784106773247, 3.076252138053], [ 18.41996453662 , 13.19460188316 , 3.076252138053], [ 5.586516846385, 14.543451588465, 3.076252138053], [ 6.295649102036, 15.771704684538, 3.076252138053], [ 17.272564444457, 15.771704684538, 3.076252138053], [ 16.323560252032, 16.825680617271, 3.076252138053], [ 8.392053386623, 17.659315580864, 3.076252138053], [ 9.687702488659, 18.236175727185, 3.076252138053], [ 13.880511057834, 18.236175727185, 3.076252138053], [ 12.493239028898, 18.531049499756, 3.076252138053], [ 11.784106773247, 5. , 4.306752993274], [ 13.19460188316 , 5.148249009873, 4.306752993274], [ 9.024761958028, 5.586516846385, 4.306752993274], [ 7.796508861955, 6.295649102036, 4.306752993274], [ 15.771704684538, 6.295649102036, 4.306752993274], [ 16.825680617271, 7.244653294461, 4.306752993274], [ 5.908897965629, 8.392053386623, 4.306752993274], [ 5.332037819308, 9.687702488659, 4.306752993274], [ 18.236175727185, 9.687702488659, 4.306752993274], [ 18.531049499756, 11.074974517595, 4.306752993274], [ 5.037164046737, 12.493239028898, 4.306752993274], [ 5.332037819308, 13.880511057834, 4.306752993274], [ 18.236175727185, 13.880511057834, 4.306752993274], [ 17.659315580864, 15.17616015987 , 4.306752993274], [ 6.742532929222, 16.323560252032, 4.306752993274], [ 7.796508861955, 17.272564444457, 4.306752993274], [ 15.771704684538, 17.272564444457, 4.306752993274], [ 14.543451588465, 17.981696700108, 4.306752993274], [ 10.373611663333, 18.41996453662 , 4.306752993274], [ 11.784106773247, 18.568213546493, 4.306752993274], [ 11.074974517595, 5.037164046737, 5.537253848495], [ 9.687702488659, 5.332037819308, 5.537253848495], [ 13.880511057834, 5.332037819308, 5.537253848495], [ 15.17616015987 , 5.908897965629, 5.537253848495], [ 7.244653294461, 6.742532929222, 5.537253848495], [ 6.295649102036, 7.796508861955, 5.537253848495], [ 17.272564444457, 7.796508861955, 5.537253848495], [ 17.981696700108, 9.024761958028, 5.537253848495], [ 5.148249009873, 10.373611663333, 5.537253848495], [ 5. , 11.784106773247, 5.537253848495], [ 18.568213546493, 11.784106773247, 5.537253848495], [ 18.41996453662 , 13.19460188316 , 5.537253848495], [ 5.586516846385, 14.543451588465, 5.537253848495], [ 6.295649102036, 15.771704684538, 5.537253848495], [ 17.272564444457, 15.771704684538, 5.537253848495], [ 16.323560252032, 16.825680617271, 5.537253848495], [ 8.392053386623, 17.659315580864, 5.537253848495], [ 9.687702488659, 18.236175727185, 5.537253848495], [ 13.880511057834, 18.236175727185, 5.537253848495], [ 12.493239028898, 18.531049499756, 5.537253848495], [ 11.784106773247, 5. , 6.767754703716], [ 13.19460188316 , 5.148249009873, 6.767754703716], [ 9.024761958028, 5.586516846385, 6.767754703716], [ 7.796508861955, 6.295649102036, 6.767754703716], [ 15.771704684538, 6.295649102036, 6.767754703716], [ 16.825680617271, 7.244653294461, 6.767754703716], [ 5.908897965629, 8.392053386623, 6.767754703716], [ 5.332037819308, 9.687702488659, 6.767754703716], [ 18.236175727185, 9.687702488659, 6.767754703716], [ 18.531049499756, 11.074974517595, 6.767754703716], [ 5.037164046737, 12.493239028898, 6.767754703716], [ 5.332037819308, 13.880511057834, 6.767754703716], [ 18.236175727185, 13.880511057834, 6.767754703716], [ 17.659315580864, 15.17616015987 , 6.767754703716], [ 6.742532929222, 16.323560252032, 6.767754703716], [ 7.796508861955, 17.272564444457, 6.767754703716], [ 15.771704684538, 17.272564444457, 6.767754703716], [ 14.543451588465, 17.981696700108, 6.767754703716], [ 10.373611663333, 18.41996453662 , 6.767754703716], [ 11.784106773247, 18.568213546493, 6.767754703716], [ 11.074974517595, 5.037164046737, 7.998255558938], [ 9.687702488659, 5.332037819308, 7.998255558938], [ 13.880511057834, 5.332037819308, 7.998255558938], [ 15.17616015987 , 5.908897965629, 7.998255558938], [ 7.244653294461, 6.742532929222, 7.998255558938], [ 6.295649102036, 7.796508861955, 7.998255558938], [ 17.272564444457, 7.796508861955, 7.998255558938], [ 17.981696700108, 9.024761958028, 7.998255558938], [ 5.148249009873, 10.373611663333, 7.998255558938], [ 5. , 11.784106773247, 7.998255558938], [ 18.568213546493, 11.784106773247, 7.998255558938], [ 18.41996453662 , 13.19460188316 , 7.998255558938], [ 5.586516846385, 14.543451588465, 7.998255558938], [ 6.295649102036, 15.771704684538, 7.998255558938], [ 17.272564444457, 15.771704684538, 7.998255558938], [ 16.323560252032, 16.825680617271, 7.998255558938], [ 8.392053386623, 17.659315580864, 7.998255558938], [ 9.687702488659, 18.236175727185, 7.998255558938], [ 13.880511057834, 18.236175727185, 7.998255558938], [ 12.493239028898, 18.531049499756, 7.998255558938], [ 11.784106773247, 5. , 9.228756414159], [ 13.19460188316 , 5.148249009873, 9.228756414159], [ 9.024761958028, 5.586516846385, 9.228756414159], [ 7.796508861955, 6.295649102036, 9.228756414159], [ 15.771704684538, 6.295649102036, 9.228756414159], [ 16.825680617271, 7.244653294461, 9.228756414159], [ 5.908897965629, 8.392053386623, 9.228756414159], [ 5.332037819308, 9.687702488659, 9.228756414159], [ 18.236175727185, 9.687702488659, 9.228756414159], [ 18.531049499756, 11.074974517595, 9.228756414159], [ 5.037164046737, 12.493239028898, 9.228756414159], [ 5.332037819308, 13.880511057834, 9.228756414159], [ 18.236175727185, 13.880511057834, 9.228756414159], [ 17.659315580864, 15.17616015987 , 9.228756414159], [ 6.742532929222, 16.323560252032, 9.228756414159], [ 7.796508861955, 17.272564444457, 9.228756414159], [ 15.771704684538, 17.272564444457, 9.228756414159], [ 14.543451588465, 17.981696700108, 9.228756414159], [ 10.373611663333, 18.41996453662 , 9.228756414159], [ 11.784106773247, 18.568213546493, 9.228756414159], [ 11.074974517595, 5.037164046737, 10.45925726938 ], [ 9.687702488659, 5.332037819308, 10.45925726938 ], [ 13.880511057834, 5.332037819308, 10.45925726938 ], [ 15.17616015987 , 5.908897965629, 10.45925726938 ], [ 7.244653294461, 6.742532929222, 10.45925726938 ], [ 6.295649102036, 7.796508861955, 10.45925726938 ], [ 17.272564444457, 7.796508861955, 10.45925726938 ], [ 17.981696700108, 9.024761958028, 10.45925726938 ], [ 5.148249009873, 10.373611663333, 10.45925726938 ], [ 5. , 11.784106773247, 10.45925726938 ], [ 18.568213546493, 11.784106773247, 10.45925726938 ], [ 18.41996453662 , 13.19460188316 , 10.45925726938 ], [ 5.586516846385, 14.543451588465, 10.45925726938 ], [ 6.295649102036, 15.771704684538, 10.45925726938 ], [ 17.272564444457, 15.771704684538, 10.45925726938 ], [ 16.323560252032, 16.825680617271, 10.45925726938 ], [ 8.392053386623, 17.659315580864, 10.45925726938 ], [ 9.687702488659, 18.236175727185, 10.45925726938 ], [ 13.880511057834, 18.236175727185, 10.45925726938 ], [ 12.493239028898, 18.531049499756, 10.45925726938 ], [ 11.784106773247, 5. , 11.689758124601], [ 13.19460188316 , 5.148249009873, 11.689758124601], [ 9.024761958028, 5.586516846385, 11.689758124601], [ 7.796508861955, 6.295649102036, 11.689758124601], [ 15.771704684538, 6.295649102036, 11.689758124601], [ 16.825680617271, 7.244653294461, 11.689758124601], [ 5.908897965629, 8.392053386623, 11.689758124601], [ 5.332037819308, 9.687702488659, 11.689758124601], [ 18.236175727185, 9.687702488659, 11.689758124601], [ 18.531049499756, 11.074974517595, 11.689758124601], [ 5.037164046737, 12.493239028898, 11.689758124601], [ 5.332037819308, 13.880511057834, 11.689758124601], [ 18.236175727185, 13.880511057834, 11.689758124601], [ 17.659315580864, 15.17616015987 , 11.689758124601], [ 6.742532929222, 16.323560252032, 11.689758124601], [ 7.796508861955, 17.272564444457, 11.689758124601], [ 15.771704684538, 17.272564444457, 11.689758124601], [ 14.543451588465, 17.981696700108, 11.689758124601], [ 10.373611663333, 18.41996453662 , 11.689758124601], [ 11.784106773247, 18.568213546493, 11.689758124601], [ 11.074974517595, 5.037164046737, 12.920258979822], [ 9.687702488659, 5.332037819308, 12.920258979822], [ 13.880511057834, 5.332037819308, 12.920258979822], [ 15.17616015987 , 5.908897965629, 12.920258979822], [ 7.244653294461, 6.742532929222, 12.920258979822], [ 6.295649102036, 7.796508861955, 12.920258979822], [ 17.272564444457, 7.796508861955, 12.920258979822], [ 17.981696700108, 9.024761958028, 12.920258979822], [ 5.148249009873, 10.373611663333, 12.920258979822], [ 5. , 11.784106773247, 12.920258979822], [ 18.568213546493, 11.784106773247, 12.920258979822], [ 18.41996453662 , 13.19460188316 , 12.920258979822], [ 5.586516846385, 14.543451588465, 12.920258979822], [ 6.295649102036, 15.771704684538, 12.920258979822], [ 17.272564444457, 15.771704684538, 12.920258979822], [ 16.323560252032, 16.825680617271, 12.920258979822], [ 8.392053386623, 17.659315580864, 12.920258979822], [ 9.687702488659, 18.236175727185, 12.920258979822], [ 13.880511057834, 18.236175727185, 12.920258979822], [ 12.493239028898, 18.531049499756, 12.920258979822], [ 11.784106773247, 5. , 14.150759835043], [ 13.19460188316 , 5.148249009873, 14.150759835043], [ 9.024761958028, 5.586516846385, 14.150759835043], [ 7.796508861955, 6.295649102036, 14.150759835043], [ 15.771704684538, 6.295649102036, 14.150759835043], [ 16.825680617271, 7.244653294461, 14.150759835043], [ 5.908897965629, 8.392053386623, 14.150759835043], [ 5.332037819308, 9.687702488659, 14.150759835043], [ 18.236175727185, 9.687702488659, 14.150759835043], [ 18.531049499756, 11.074974517595, 14.150759835043], [ 5.037164046737, 12.493239028898, 14.150759835043], [ 5.332037819308, 13.880511057834, 14.150759835043], [ 18.236175727185, 13.880511057834, 14.150759835043], [ 17.659315580864, 15.17616015987 , 14.150759835043], [ 6.742532929222, 16.323560252032, 14.150759835043], [ 7.796508861955, 17.272564444457, 14.150759835043], [ 15.771704684538, 17.272564444457, 14.150759835043], [ 14.543451588465, 17.981696700108, 14.150759835043], [ 10.373611663333, 18.41996453662 , 14.150759835043], [ 11.784106773247, 18.568213546493, 14.150759835043], [ 11.074974517595, 5.037164046737, 15.381260690264], [ 9.687702488659, 5.332037819308, 15.381260690264], [ 13.880511057834, 5.332037819308, 15.381260690264], [ 15.17616015987 , 5.908897965629, 15.381260690264], [ 7.244653294461, 6.742532929222, 15.381260690264], [ 6.295649102036, 7.796508861955, 15.381260690264], [ 17.272564444457, 7.796508861955, 15.381260690264], [ 17.981696700108, 9.024761958028, 15.381260690264], [ 5.148249009873, 10.373611663333, 15.381260690264], [ 5. , 11.784106773247, 15.381260690264], [ 18.568213546493, 11.784106773247, 15.381260690264], [ 18.41996453662 , 13.19460188316 , 15.381260690264], [ 5.586516846385, 14.543451588465, 15.381260690264], [ 6.295649102036, 15.771704684538, 15.381260690264], [ 17.272564444457, 15.771704684538, 15.381260690264], [ 16.323560252032, 16.825680617271, 15.381260690264], [ 8.392053386623, 17.659315580864, 15.381260690264], [ 9.687702488659, 18.236175727185, 15.381260690264], [ 13.880511057834, 18.236175727185, 15.381260690264], [ 12.493239028898, 18.531049499756, 15.381260690264], [ 11.784106773247, 5. , 16.611761545486], [ 13.19460188316 , 5.148249009873, 16.611761545486], [ 9.024761958028, 5.586516846385, 16.611761545486], [ 7.796508861955, 6.295649102036, 16.611761545486], [ 15.771704684538, 6.295649102036, 16.611761545486], [ 16.825680617271, 7.244653294461, 16.611761545486], [ 5.908897965629, 8.392053386623, 16.611761545486], [ 5.332037819308, 9.687702488659, 16.611761545486], [ 18.236175727185, 9.687702488659, 16.611761545486], [ 18.531049499756, 11.074974517595, 16.611761545486], [ 5.037164046737, 12.493239028898, 16.611761545486], [ 5.332037819308, 13.880511057834, 16.611761545486], [ 18.236175727185, 13.880511057834, 16.611761545486], [ 17.659315580864, 15.17616015987 , 16.611761545486], [ 6.742532929222, 16.323560252032, 16.611761545486], [ 7.796508861955, 17.272564444457, 16.611761545486], [ 15.771704684538, 17.272564444457, 16.611761545486], [ 14.543451588465, 17.981696700108, 16.611761545486], [ 10.373611663333, 18.41996453662 , 16.611761545486], [ 11.784106773247, 18.568213546493, 16.611761545486], [ 11.074974517595, 5.037164046737, 17.842262400707], [ 9.687702488659, 5.332037819308, 17.842262400707], [ 13.880511057834, 5.332037819308, 17.842262400707], [ 15.17616015987 , 5.908897965629, 17.842262400707], [ 7.244653294461, 6.742532929222, 17.842262400707], [ 6.295649102036, 7.796508861955, 17.842262400707], [ 17.272564444457, 7.796508861955, 17.842262400707], [ 17.981696700108, 9.024761958028, 17.842262400707], [ 5.148249009873, 10.373611663333, 17.842262400707], [ 5. , 11.784106773247, 17.842262400707], [ 18.568213546493, 11.784106773247, 17.842262400707], [ 18.41996453662 , 13.19460188316 , 17.842262400707], [ 5.586516846385, 14.543451588465, 17.842262400707], [ 6.295649102036, 15.771704684538, 17.842262400707], [ 17.272564444457, 15.771704684538, 17.842262400707], [ 16.323560252032, 16.825680617271, 17.842262400707], [ 8.392053386623, 17.659315580864, 17.842262400707], [ 9.687702488659, 18.236175727185, 17.842262400707], [ 13.880511057834, 18.236175727185, 17.842262400707], [ 12.493239028898, 18.531049499756, 17.842262400707], [ 11.784106773247, 5. , 19.072763255928], [ 13.19460188316 , 5.148249009873, 19.072763255928], [ 9.024761958028, 5.586516846385, 19.072763255928], [ 7.796508861955, 6.295649102036, 19.072763255928], [ 15.771704684538, 6.295649102036, 19.072763255928], [ 16.825680617271, 7.244653294461, 19.072763255928], [ 5.908897965629, 8.392053386623, 19.072763255928], [ 5.332037819308, 9.687702488659, 19.072763255928], [ 18.236175727185, 9.687702488659, 19.072763255928], [ 18.531049499756, 11.074974517595, 19.072763255928], [ 5.037164046737, 12.493239028898, 19.072763255928], [ 5.332037819308, 13.880511057834, 19.072763255928], [ 18.236175727185, 13.880511057834, 19.072763255928], [ 17.659315580864, 15.17616015987 , 19.072763255928], [ 6.742532929222, 16.323560252032, 19.072763255928], [ 7.796508861955, 17.272564444457, 19.072763255928], [ 15.771704684538, 17.272564444457, 19.072763255928], [ 14.543451588465, 17.981696700108, 19.072763255928], [ 10.373611663333, 18.41996453662 , 19.072763255928], [ 11.784106773247, 18.568213546493, 19.072763255928], [ 11.074974517595, 5.037164046737, 20.303264111149], [ 9.687702488659, 5.332037819308, 20.303264111149], [ 13.880511057834, 5.332037819308, 20.303264111149], [ 15.17616015987 , 5.908897965629, 20.303264111149], [ 7.244653294461, 6.742532929222, 20.303264111149], [ 6.295649102036, 7.796508861955, 20.303264111149], [ 17.272564444457, 7.796508861955, 20.303264111149], [ 17.981696700108, 9.024761958028, 20.303264111149], [ 5.148249009873, 10.373611663333, 20.303264111149], [ 5. , 11.784106773247, 20.303264111149], [ 18.568213546493, 11.784106773247, 20.303264111149], [ 18.41996453662 , 13.19460188316 , 20.303264111149], [ 5.586516846385, 14.543451588465, 20.303264111149], [ 6.295649102036, 15.771704684538, 20.303264111149], [ 17.272564444457, 15.771704684538, 20.303264111149], [ 16.323560252032, 16.825680617271, 20.303264111149], [ 8.392053386623, 17.659315580864, 20.303264111149], [ 9.687702488659, 18.236175727185, 20.303264111149], [ 13.880511057834, 18.236175727185, 20.303264111149], [ 12.493239028898, 18.531049499756, 20.303264111149], [ 11.784106773247, 5. , 21.53376496637 ], [ 13.19460188316 , 5.148249009873, 21.53376496637 ], [ 9.024761958028, 5.586516846385, 21.53376496637 ], [ 7.796508861955, 6.295649102036, 21.53376496637 ], [ 15.771704684538, 6.295649102036, 21.53376496637 ], [ 16.825680617271, 7.244653294461, 21.53376496637 ], [ 5.908897965629, 8.392053386623, 21.53376496637 ], [ 5.332037819308, 9.687702488659, 21.53376496637 ], [ 18.236175727185, 9.687702488659, 21.53376496637 ], [ 18.531049499756, 11.074974517595, 21.53376496637 ], [ 5.037164046737, 12.493239028898, 21.53376496637 ], [ 5.332037819308, 13.880511057834, 21.53376496637 ], [ 18.236175727185, 13.880511057834, 21.53376496637 ], [ 17.659315580864, 15.17616015987 , 21.53376496637 ], [ 6.742532929222, 16.323560252032, 21.53376496637 ], [ 7.796508861955, 17.272564444457, 21.53376496637 ], [ 15.771704684538, 17.272564444457, 21.53376496637 ], [ 14.543451588465, 17.981696700108, 21.53376496637 ], [ 10.373611663333, 18.41996453662 , 21.53376496637 ], [ 11.784106773247, 18.568213546493, 21.53376496637 ], [ 11.074974517595, 5.037164046737, 22.764265821591], [ 9.687702488659, 5.332037819308, 22.764265821591], [ 13.880511057834, 5.332037819308, 22.764265821591], [ 15.17616015987 , 5.908897965629, 22.764265821591], [ 7.244653294461, 6.742532929222, 22.764265821591], [ 6.295649102036, 7.796508861955, 22.764265821591], [ 17.272564444457, 7.796508861955, 22.764265821591], [ 17.981696700108, 9.024761958028, 22.764265821591], [ 5.148249009873, 10.373611663333, 22.764265821591], [ 5. , 11.784106773247, 22.764265821591], [ 18.568213546493, 11.784106773247, 22.764265821591], [ 18.41996453662 , 13.19460188316 , 22.764265821591], [ 5.586516846385, 14.543451588465, 22.764265821591], [ 6.295649102036, 15.771704684538, 22.764265821591], [ 17.272564444457, 15.771704684538, 22.764265821591], [ 16.323560252032, 16.825680617271, 22.764265821591], [ 8.392053386623, 17.659315580864, 22.764265821591], [ 9.687702488659, 18.236175727185, 22.764265821591], [ 13.880511057834, 18.236175727185, 22.764265821591], [ 12.493239028898, 18.531049499756, 22.764265821591], [ 11.784106773247, 5. , 23.994766676813], [ 13.19460188316 , 5.148249009873, 23.994766676813], [ 9.024761958028, 5.586516846385, 23.994766676813], [ 7.796508861955, 6.295649102036, 23.994766676813], [ 15.771704684538, 6.295649102036, 23.994766676813], [ 16.825680617271, 7.244653294461, 23.994766676813], [ 5.908897965629, 8.392053386623, 23.994766676813], [ 5.332037819308, 9.687702488659, 23.994766676813], [ 18.236175727185, 9.687702488659, 23.994766676813], [ 18.531049499756, 11.074974517595, 23.994766676813], [ 5.037164046737, 12.493239028898, 23.994766676813], [ 5.332037819308, 13.880511057834, 23.994766676813], [ 18.236175727185, 13.880511057834, 23.994766676813], [ 17.659315580864, 15.17616015987 , 23.994766676813], [ 6.742532929222, 16.323560252032, 23.994766676813], [ 7.796508861955, 17.272564444457, 23.994766676813], [ 15.771704684538, 17.272564444457, 23.994766676813], [ 14.543451588465, 17.981696700108, 23.994766676813], [ 10.373611663333, 18.41996453662 , 23.994766676813], [ 11.784106773247, 18.568213546493, 23.994766676813]]*Angstrom # Set up configuration central_region = BulkConfiguration( bravais_lattice=central_region_lattice, elements=central_region_elements, cartesian_coordinates=central_region_coordinates ) device_configuration = DeviceConfiguration( central_region, [left_electrode, right_electrode] ) # ------------------------------------------------------------- # Calculator # ------------------------------------------------------------- #---------------------------------------- # Basis Set #---------------------------------------- basis_set = Hancock.C_Basis #---------------------------------------- # Numerical Accuracy Settings #---------------------------------------- left_electrode_k_point_sampling = MonkhorstPackGrid( nc=100, ) left_electrode_numerical_accuracy_parameters = NumericalAccuracyParameters( k_point_sampling=left_electrode_k_point_sampling, ) right_electrode_k_point_sampling = MonkhorstPackGrid( nc=100, ) right_electrode_numerical_accuracy_parameters = NumericalAccuracyParameters( k_point_sampling=right_electrode_k_point_sampling, ) #---------------------------------------- # Iteration Control Settings #---------------------------------------- left_electrode_iteration_control_parameters = IterationControlParameters( tolerance=0.0001, ) right_electrode_iteration_control_parameters = IterationControlParameters( tolerance=0.0001, ) #---------------------------------------- # Poisson Solver Settings #---------------------------------------- left_electrode_poisson_solver = FastFourier2DSolver( boundary_conditions=[[PeriodicBoundaryCondition(),PeriodicBoundaryCondition()], [PeriodicBoundaryCondition(),PeriodicBoundaryCondition()], [PeriodicBoundaryCondition(),PeriodicBoundaryCondition()]] ) right_electrode_poisson_solver = FastFourier2DSolver( boundary_conditions=[[PeriodicBoundaryCondition(),PeriodicBoundaryCondition()], [PeriodicBoundaryCondition(),PeriodicBoundaryCondition()], [PeriodicBoundaryCondition(),PeriodicBoundaryCondition()]] ) #---------------------------------------- # Device Algorithm Settings #---------------------------------------- initial_density_type = EquivalentBulk( electrode_constraint_length=10.0*Angstrom, ) device_algorithm_parameters = DeviceAlgorithmParameters( initial_density_type=initial_density_type, ) #---------------------------------------- # Electrode Calculators #---------------------------------------- left_electrode_calculator = SlaterKosterCalculator( basis_set=basis_set, numerical_accuracy_parameters=left_electrode_numerical_accuracy_parameters, iteration_control_parameters=left_electrode_iteration_control_parameters, poisson_solver=left_electrode_poisson_solver, ) right_electrode_calculator = SlaterKosterCalculator( basis_set=basis_set, numerical_accuracy_parameters=right_electrode_numerical_accuracy_parameters, iteration_control_parameters=right_electrode_iteration_control_parameters, poisson_solver=right_electrode_poisson_solver, ) #---------------------------------------- # Device Calculator #---------------------------------------- calculator = DeviceSlaterKosterCalculator( basis_set=basis_set, device_algorithm_parameters=device_algorithm_parameters, electrode_calculators= [left_electrode_calculator, right_electrode_calculator], ) device_configuration.setCalculator(calculator) nlprint(device_configuration) device_configuration.update() nlsave('cnt_device.nc', device_configuration)