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_oC16_65_mn"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 4.883,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.1391972,
        0.87542494,
        0.15709997,
        0.85013575,
        0.6807677
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_344206135651_000"
        ]
      ]
    },
    "duplicate_reference_data": [
      "RD_432402070923_000"
    ]
  },
  {
    "prototype-label": {
      "source-value": "A_oC16_65_mn"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 4.9133,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        1.1162152,
        1.3733336,
        0.10134088,
        0.12560938,
        0.81864012
      ]
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_367949787318_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 3.6297001688399577 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 0.15911637924218047 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 16:16:15      -53.288125        3.654114
LBFGSLineSearch:    1 16:16:17      -56.741171        9.867156
LBFGSLineSearch:    2 16:16:19      -57.895628        5.864103
LBFGSLineSearch:    3 16:16:22      -59.043596        1.625515
LBFGSLineSearch:    4 16:16:25      -59.152267        0.757452
LBFGSLineSearch:    5 16:16:29      -59.174822        0.586230
LBFGSLineSearch:    6 16:16:34      -59.199424        0.391412
LBFGSLineSearch:    7 16:16:37      -59.212122        0.195018
LBFGSLineSearch:    8 16:16:41      -59.214461        0.153514
LBFGSLineSearch:    9 16:16:45      -59.220345        0.254024
LBFGSLineSearch:   10 16:16:48      -59.222439        0.083958
LBFGSLineSearch:   11 16:16:51      -59.222763        0.002891
LBFGSLineSearch:   12 16:16:54      -59.222764        0.000492
LBFGSLineSearch:   13 16:16:58      -59.222764        0.000005