HemanthHari
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| -698.59609910092774 | |
| The above number is the electronic (free)energy: -701.17033831475794 | |
| Plus the pressure : 1.3595453680289311E-005 ( 0.20000000000000001 GPa) | |
| times the orbital volume (in Bohr**3): 13916.534943485049 |