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Cells are organized into initial configurations with different average values of r through an iterative process.
The initial configurations were relaxed by energy minimization and the resulting equilibrium coordinates were restrained by harmonic potentials.
Two different methods were used to generate four initial configurations.
At Digital the initial configurations sometimes contained omissions or errors that had to be fixed before manufacturing could schedule production.
The dimensions of the simulation cells and their initial configurations were adopted using the experimental lattice parameters and geometries at corresponding temperatures.
A dynamical calculation would first involve calculating, using quantum mechanics, a potential-energy surface that gives the potential energy corresponding to a set of initial configurations.
At last, the stability of formed initial configurations was analyzed considering J2 perturbation.
Their dynamics are observed over a certain time period starting from predetermined initial configurations.
This problem can be overcome by approaching the equilibrium shape from different initial configurations.
A recursive algorithm is developed to generate feasible assembly sequences and the initial configurations including hybrid configurations.
For a sensible class of initial configurations, distinct behaviors can be associated to different domains in the parameter space.
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