Model name?
Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
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_hP4_194_f"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 2.5124,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.6642254,
        0.062750617
      ]
    },
    "library-prototype-label": {
      "source-value": "A_hP4_194_f-001"
    },
    "short-name": {
      "source-value": "Lonsdaleite"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_603706980992_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_914727357259_000",
      "RD_162295946796_000"
    ]
  }
]

NOTE: The configuration you provided has a maximum force component 0.022849278096761544 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.


NOTE: The configuration you provided has a maximum stress component 0.37586823063062946 eV/angstrom^3 even though the nominal state of the system is unstressed. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration.

                 Step     Time          Energy          fmax
LBFGSLineSearch:    0 16:16:19      -29.119068        2.147755
LBFGSLineSearch:    1 16:16:22      -29.490840        0.425346
LBFGSLineSearch:    2 16:16:24      -29.502655        0.071796
LBFGSLineSearch:    3 16:16:26      -29.502921        0.060226
LBFGSLineSearch:    4 16:16:29      -29.503269        0.060566
LBFGSLineSearch:    5 16:16:31      -29.503398        0.024079
LBFGSLineSearch:    6 16:16:31      -29.503421        0.000716
LBFGSLineSearch:    7 16:16:32      -29.503421        0.000056
LBFGSLineSearch:    8 16:16:32      -29.503421        0.000001