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The table of representative amorphous solids presents a list of amorphous solids in which every class of chemical bonding type is represented.
However, whether the application of pressure induces a fundamental change in bonding type is open to debate.
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L ij < L 1: the bond type is set to 6, suggesting that it has better chance to be 1.
When they are not on the same plane and the bond type is 5, we denote BA ij as the bond angle between bond i and bond j.
If the bond cannot be found in Table 3, the bond type is set to 4. Each step is applied after the application of the previous steps.
In this condition, we will check if the bond type is 5 and the angle between these two bonds differs from 120°in 3 degrees.
Sometimes, a special SDF bond type is used to represent aromatic bonds, although it should not be used in such cases [15].
For the rest unsigned bonds, their bond orders are set to 1. 3. If the bond cannot be found in Table 3, the bond type is set to 4. .
2.4 L ij < L 1: the bond type is set to 6, suggesting that it has better chance to be 1. 2.5 For the rest unsigned bonds, their bond orders are set to 1. .
L ij < L 2: the bond length is smaller than the length of double bond, and the bond order is set to 2. L ij < L 2 + 0.05: the bond type is set to 5, suggesting it is not sure, and it has better chance to be 2. L ij < L 1 − 0.04: the bond type is set to 4, suggesting that it is not sure.
2.1 L ij < L 2: the bond length is smaller than the length of double bond, and the bond order is set to 2. 2.2 L ij < L 2 + 0.05: the bond type is set to 5, suggesting it is not sure, and it has better chance to be 2 2.3 L ij < L 1 − 0.04: the bond type is set to 4, suggesting that it is not sure.
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