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CaO Visualisation
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Published
Best Calculated: Crystal - B3LYP + Dispersion (Light)
Best Calculated: Crystal - B3LYP (Light)
Best Calculated: Crystal - B3LYP + Dispersion (Tight)
Best Calculated: Crystal - B3LYP (Tight)
Best Calculated: Crystal - PBE (Light)
Best Calculated: Crystal - PBE (Tight)
Best Calculated: Crystal - PBE + Dispersion (Light)
Best Calculated: Crystal - PBE + Dispersion (Tight)
Crystal - B3LYP (Light): [7, 7, 7]
Crystal - B3LYP + Dispersion (Light): [6, 6, 6]
Crystal - B3LYP + Dispersion (Light): [5, 5, 5]
Crystal - B3LYP + Dispersion (Tight): [3, 3, 3]
Crystal - PBE (Light): [5, 5, 5]
Crystal - PBE (Light): [4, 4, 4]
Crystal - PBE (Light): [3, 3, 3]
Crystal - PBE (Tight): [3, 3, 3]
Crystal - PBE + Dispersion (Light): [7, 7, 7]
Crystal - PBE + Dispersion (Tight): [3, 3, 3]
Animate Comparison
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Pack Atoms
Bonding Data
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Min Bond Distance
Bond Tolerance