Model name?
Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001
Temperature (K)?
No temperature given
Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)?
No stress given
Runtime arguments (literal dictonary)?
No runtime arguments given
Initial parameters from query or test_generator (literal list of dicts)?
[
  {
    "prototype-label": {
      "source-value": "A_hP1_191_a"
    },
    "stoichiometric-species": {
      "source-value": [
        "Mo"
      ]
    },
    "a": {
      "source-value": 2.7779,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.90949998
      ]
    },
    "library-prototype-label": {
      "source-value": "A_hP1_191_a-001"
    },
    "short-name": {
      "source-value": "Simple Hexagonal Lattice"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_975706346264_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]
                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 13:09:33       -6.064879        1.920404
LBFGSLineSearch:    1 13:09:34       -6.131999        0.389516
LBFGSLineSearch:    2 13:09:34       -6.135597        0.095265
LBFGSLineSearch:    3 13:09:34       -6.135663        0.002115
LBFGSLineSearch:    4 13:09:34       -6.135663        0.000026
LBFGSLineSearch:    5 13:09:34       -6.135663        0.000000