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A series of Python3 script to lower the barrier of computing and simulating molecular and material systems.
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CMMDE/examples/nano/Au_icosahedron_10.xyz

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Properties=species:S:1:pos:R:3:tags:I:1 pbc="F F F"
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Au 7.94171175 -12.49190770 15.30408344 10
Au 7.94171175 12.49190770 15.30408344 10
Au 7.00431984 -14.94603159 13.78735146 10
Au 7.00431984 14.94603159 13.78735146 10
Au 6.42497977 -11.55451578 17.75820734 10
Au 6.42497977 11.55451578 17.75820734 10
Au 5.48758786 -14.00863968 16.24147536 10
Au 5.48758786 14.00863968 16.24147536 10
Au 3.97085588 -13.07124776 18.69559926 10
Au 3.97085588 13.07124776 18.69559926 10
Au 18.69559926 -3.97085588 -13.07124776 10
Au 18.69559926 3.97085588 -13.07124776 10
Au 17.75820734 -6.42497977 -11.55451578 10
Au 17.75820734 6.42497977 -11.55451578 10
Au 16.82081542 -8.87910367 -10.03778380 10
Au 16.82081542 8.87910367 -10.03778380 10
Au 15.88342351 -11.33322757 -8.52105182 10
Au 15.88342351 11.33322757 -8.52105182 10
Au 14.94603159 -13.78735146 -7.00431984 10
Au 14.94603159 13.78735146 -7.00431984 10
Au 14.00863968 -16.24147536 -5.48758786 10
Au 14.00863968 16.24147536 -5.48758786 10
Au 13.07124776 -18.69559926 -3.97085588 10
Au 13.07124776 18.69559926 -3.97085588 10
Au 16.24147536 -5.48758786 -14.00863968 10
Au 16.24147536 5.48758786 -14.00863968 10
Au 15.30408344 -7.94171175 -12.49190770 10
Au 15.30408344 7.94171175 -12.49190770 10
Au 14.36669153 -10.39583565 -10.97517572 10
Au 14.36669153 10.39583565 -10.97517572 10
Au 13.42929961 -12.84995955 -9.45844373 10
Au 13.42929961 12.84995955 -9.45844373 10
Au 12.49190770 -15.30408344 -7.94171175 10
Au 12.49190770 15.30408344 -7.94171175 10
Au 11.55451578 -17.75820734 -6.42497977 10
Au 11.55451578 17.75820734 -6.42497977 10
Au 13.78735146 -7.00431984 -14.94603159 10
Au 13.78735146 7.00431984 -14.94603159 10
Au 12.84995955 -9.45844373 -13.42929961 10
Au 12.84995955 9.45844373 -13.42929961 10
Au 11.91256763 -11.91256763 -11.91256763 10
Au 11.91256763 11.91256763 -11.91256763 10
Au 10.97517572 -14.36669153 -10.39583565 10
Au 10.97517572 14.36669153 -10.39583565 10
Au 10.03778380 -16.82081542 -8.87910367 10
Au 10.03778380 16.82081542 -8.87910367 10
Au 11.33322757 -8.52105182 -15.88342351 10
Au 11.33322757 8.52105182 -15.88342351 10
Au 10.39583565 -10.97517572 -14.36669153 10
Au 10.39583565 10.97517572 -14.36669153 10
Au 9.45844373 -13.42929961 -12.84995955 10
Au 9.45844373 13.42929961 -12.84995955 10
Au 8.52105182 -15.88342351 -11.33322757 10
Au 8.52105182 15.88342351 -11.33322757 10
Au 8.87910367 -10.03778380 -16.82081542 10
Au 8.87910367 10.03778380 -16.82081542 10
Au 7.94171175 -12.49190770 -15.30408344 10
Au 7.94171175 12.49190770 -15.30408344 10
Au 7.00431984 -14.94603159 -13.78735146 10
Au 7.00431984 14.94603159 -13.78735146 10
Au 6.42497977 -11.55451578 -17.75820734 10
Au 6.42497977 11.55451578 -17.75820734 10
Au 5.48758786 -14.00863968 -16.24147536 10
Au 5.48758786 14.00863968 -16.24147536 10
Au 3.97085588 -13.07124776 -18.69559926 10
Au 3.97085588 13.07124776 -18.69559926 10
Au -18.69559926 -3.97085588 13.07124776 10
Au -18.69559926 3.97085588 13.07124776 10
Au -17.75820734 -6.42497977 11.55451578 10
Au -17.75820734 6.42497977 11.55451578 10
Au -16.82081542 -8.87910367 10.03778380 10
Au -16.82081542 8.87910367 10.03778380 10
Au -15.88342351 -11.33322757 8.52105182 10
Au -15.88342351 11.33322757 8.52105182 10
Au -14.94603159 -13.78735146 7.00431984 10
Au -14.94603159 13.78735146 7.00431984 10
Au -14.00863968 -16.24147536 5.48758786 10
Au -14.00863968 16.24147536 5.48758786 10
Au -13.07124776 -18.69559926 3.97085588 10
Au -13.07124776 18.69559926 3.97085588 10
Au -16.24147536 -5.48758786 14.00863968 10
Au -16.24147536 5.48758786 14.00863968 10
Au -15.30408344 -7.94171175 12.49190770 10
Au -15.30408344 7.94171175 12.49190770 10
Au -14.36669153 -10.39583565 10.97517572 10
Au -14.36669153 10.39583565 10.97517572 10
Au -13.42929961 -12.84995955 9.45844373 10
Au -13.42929961 12.84995955 9.45844373 10
Au -12.49190770 -15.30408344 7.94171175 10
Au -12.49190770 15.30408344 7.94171175 10
Au -11.55451578 -17.75820734 6.42497977 10
Au -11.55451578 17.75820734 6.42497977 10
Au -13.78735146 -7.00431984 14.94603159 10
Au -13.78735146 7.00431984 14.94603159 10
Au -12.84995955 -9.45844373 13.42929961 10
Au -12.84995955 9.45844373 13.42929961 10
Au -11.91256763 -11.91256763 11.91256763 10
Au -11.91256763 11.91256763 11.91256763 10
Au -10.97517572 -14.36669153 10.39583565 10
Au -10.97517572 14.36669153 10.39583565 10
Au -10.03778380 -16.82081542 8.87910367 10
Au -10.03778380 16.82081542 8.87910367 10
Au -11.33322757 -8.52105182 15.88342351 10
Au -11.33322757 8.52105182 15.88342351 10
Au -10.39583565 -10.97517572 14.36669153 10
Au -10.39583565 10.97517572 14.36669153 10
Au -9.45844373 -13.42929961 12.84995955 10
Au -9.45844373 13.42929961 12.84995955 10
Au -8.52105182 -15.88342351 11.33322757 10
Au -8.52105182 15.88342351 11.33322757 10
Au -8.87910367 -10.03778380 16.82081542 10
Au -8.87910367 10.03778380 16.82081542 10
Au -7.94171175 -12.49190770 15.30408344 10
Au -7.94171175 12.49190770 15.30408344 10
Au -7.00431984 -14.94603159 13.78735146 10
Au -7.00431984 14.94603159 13.78735146 10
Au -6.42497977 -11.55451578 17.75820734 10
Au -6.42497977 11.55451578 17.75820734 10
Au -5.48758786 -14.00863968 16.24147536 10
Au -5.48758786 14.00863968 16.24147536 10
Au -3.97085588 -13.07124776 18.69559926 10
Au -3.97085588 13.07124776 18.69559926 10
Au -18.69559926 -3.97085588 -13.07124776 10
Au -18.69559926 3.97085588 -13.07124776 10
Au -17.75820734 -6.42497977 -11.55451578 10
Au -17.75820734 6.42497977 -11.55451578 10
Au -16.82081542 -8.87910367 -10.03778380 10
Au -16.82081542 8.87910367 -10.03778380 10
Au -15.88342351 -11.33322757 -8.52105182 10
Au -15.88342351 11.33322757 -8.52105182 10
Au -14.94603159 -13.78735146 -7.00431984 10
Au -14.94603159 13.78735146 -7.00431984 10
Au -14.00863968 -16.24147536 -5.48758786 10
Au -14.00863968 16.24147536 -5.48758786 10
Au -13.07124776 -18.69559926 -3.97085588 10
Au -13.07124776 18.69559926 -3.97085588 10
Au -16.24147536 -5.48758786 -14.00863968 10
Au -16.24147536 5.48758786 -14.00863968 10
Au -15.30408344 -7.94171175 -12.49190770 10
Au -15.30408344 7.94171175 -12.49190770 10
Au -14.36669153 -10.39583565 -10.97517572 10
Au -14.36669153 10.39583565 -10.97517572 10
Au -13.42929961 -12.84995955 -9.45844373 10
Au -13.42929961 12.84995955 -9.45844373 10
Au -12.49190770 -15.30408344 -7.94171175 10
Au -12.49190770 15.30408344 -7.94171175 10
Au -11.55451578 -17.75820734 -6.42497977 10
Au -11.55451578 17.75820734 -6.42497977 10
Au -13.78735146 -7.00431984 -14.94603159 10
Au -13.78735146 7.00431984 -14.94603159 10
Au -12.84995955 -9.45844373 -13.42929961 10
Au -12.84995955 9.45844373 -13.42929961 10
Au -11.91256763 -11.91256763 -11.91256763 10
Au -11.91256763 11.91256763 -11.91256763 10
Au -10.97517572 -14.36669153 -10.39583565 10
Au -10.97517572 14.36669153 -10.39583565 10
Au -10.03778380 -16.82081542 -8.87910367 10
Au -10.03778380 16.82081542 -8.87910367 10
Au -11.33322757 -8.52105182 -15.88342351 10
Au -11.33322757 8.52105182 -15.88342351 10
Au -10.39583565 -10.97517572 -14.36669153 10
Au -10.39583565 10.97517572 -14.36669153 10
Au -9.45844373 -13.42929961 -12.84995955 10
Au -9.45844373 13.42929961 -12.84995955 10
Au -8.52105182 -15.88342351 -11.33322757 10
Au -8.52105182 15.88342351 -11.33322757 10
Au -8.87910367 -10.03778380 -16.82081542 10
Au -8.87910367 10.03778380 -16.82081542 10
Au -7.94171175 -12.49190770 -15.30408344 10
Au -7.94171175 12.49190770 -15.30408344 10
Au -7.00431984 -14.94603159 -13.78735146 10
Au -7.00431984 14.94603159 -13.78735146 10
Au -6.42497977 -11.55451578 -17.75820734 10
Au -6.42497977 11.55451578 -17.75820734 10
Au -5.48758786 -14.00863968 -16.24147536 10
Au -5.48758786 14.00863968 -16.24147536 10
Au -3.97085588 -13.07124776 -18.69559926 10
Au -3.97085588 13.07124776 -18.69559926 10