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_tI8_139_h"
    },
    "stoichiometric-species": {
      "source-value": [
        "C"
      ]
    },
    "a": {
      "source-value": 4.3798,
      "source-unit": "angstrom"
    },
    "parameter-values": {
      "source-value": [
        0.57333668,
        0.81976373
      ]
    },
    "library-prototype-label": {
      "source-value": "A_tI8_139_h-001"
    },
    "short-name": {
      "source-value": "Hypothetical Tetrahedrally Bonded Carbon with 4-Member Rings"
    },
    "crystal-genome-source-structure-id": {
      "source-value": [
        [
          "RD_649356775256_000"
        ]
      ]
    },
    "duplicate_reference_data": []
  }
]

NOTE: The configuration you provided has a maximum force component 3.368258836387681 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 0.3159607703591544 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 15:53:51      -25.309516        4.763437
LBFGSLineSearch:    1 15:53:52      -25.989633        0.489809
LBFGSLineSearch:    2 15:53:52      -26.004725        0.438804
LBFGSLineSearch:    3 15:53:52      -26.017251        0.442607
LBFGSLineSearch:    4 15:53:53      -26.027581        0.180011
LBFGSLineSearch:    5 15:53:53      -26.029965        0.138723
LBFGSLineSearch:    6 15:53:53      -26.030990        0.028354
LBFGSLineSearch:    7 15:53:54      -26.031026        0.001973
LBFGSLineSearch:    8 15:53:54      -26.031026        0.000013
LBFGSLineSearch:    9 15:53:56      -26.031026        0.000000