Vacancy post

For Vacancy, we need to calculate the energy difference between a crystal structure with and without a vacancy. The examples of the output files result.json in json format and result.out in txt format are given below.

result.json

{
    "[3, 3, 3]-task.000000": [
        0.7352769999999964,
        -96.644642,
        -97.379919
    ]
}

result.out

/root/auto_test_example/deepmd/confs/std-fcc/vacancy_00
Structure: 	Vac_E(eV)  E(eV) equi_E(eV)
[3, 3, 3]-task.000000:   0.735  -96.645 -97.380