Model name?
MEAM_LAMMPS_JeongLee_2020_PtC__MO_716623333967_002
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 4.047676935988606 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 0.22791316394330713 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 16:16:55      -56.111848        4.778253
LBFGSLineSearch:    1 16:16:56      -56.698176        2.854355
LBFGSLineSearch:    2 16:16:56      -57.159854        1.392187
LBFGSLineSearch:    3 16:16:57      -57.441060        0.881094
LBFGSLineSearch:    4 16:16:58      -57.518719        1.072364
LBFGSLineSearch:    5 16:16:59      -57.676334        1.225173
LBFGSLineSearch:    6 16:16:59      -57.874528        2.480828
LBFGSLineSearch:    7 16:16:59      -58.135802        3.100000
LBFGSLineSearch:    8 16:17:00      -58.325614        2.441814
LBFGSLineSearch:    9 16:17:00      -58.537364        1.715362
LBFGSLineSearch:   10 16:17:00      -58.822456        1.159147
LBFGSLineSearch:   11 16:17:01      -58.879733        0.907836
LBFGSLineSearch:   12 16:17:02      -58.907586        0.465583
LBFGSLineSearch:   13 16:17:02      -58.937373        1.110585
LBFGSLineSearch:   14 16:17:02      -59.043323        0.498072
LBFGSLineSearch:   15 16:17:02      -59.079216        0.613134
LBFGSLineSearch:   16 16:17:03      -59.105052        0.732676
LBFGSLineSearch:   17 16:17:03      -59.165405        0.105058
LBFGSLineSearch:   18 16:17:03      -59.166857        0.027344
LBFGSLineSearch:   19 16:17:04      -59.166938        0.005455
LBFGSLineSearch:   20 16:17:04      -59.166953        0.000174
LBFGSLineSearch:   21 16:17:04      -59.166953        0.000020
LBFGSLineSearch:   22 16:17:05      -59.166953        0.000002