element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:38:06     -138.774360        10.605486
BFGS:    1 16:38:06     -141.765894         3.735252
BFGS:    2 16:38:06     -143.259676         1.074918
BFGS:    3 16:38:06     -143.303158         0.167419
BFGS:    4 16:38:06     -143.305554         0.156210
BFGS:    5 16:38:06     -143.307371         0.147368
BFGS:    6 16:38:06     -143.312562         0.235974
BFGS:    7 16:38:06     -143.318576         0.281532
BFGS:    8 16:38:06     -143.323092         0.179863
BFGS:    9 16:38:06     -143.324336         0.049319
BFGS:   10 16:38:06     -143.324451         0.003212
BFGS:   11 16:38:06     -143.324453         0.000235
BFGS:   12 16:38:06     -143.324454         0.000025
BFGS:   13 16:38:06     -143.324454         0.000001
BFGS:   14 16:38:06     -143.324454         0.000000
BFGS:   15 16:38:06     -143.324454         0.000000
BFGS:   16 16:38:06     -143.324454         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.04644531849925e-09 eV/Angstrom
Maximum stress component: 1.3178629036696635e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.27344835 0.27344835 0.27344835]
 [0.72655165 0.72655165 0.27344835]
 [0.72655165 0.27344835 0.72655165]
 [0.27344835 0.72655165 0.72655165]
 [0.27344835 0.27344835 0.72655165]
 [0.72655165 0.72655165 0.72655165]
 [0.27344835 0.72655165 0.27344835]
 [0.72655165 0.27344835 0.27344835]
 [0.5        0.15932607 0.15932607]
 [0.5        0.84067393 0.15932607]
 [0.5        0.15932607 0.84067393]
 [0.5        0.84067393 0.84067393]
 [0.15932607 0.5        0.15932607]
 [0.15932607 0.5        0.84067393]
 [0.84067393 0.5        0.15932607]
 [0.84067393 0.5        0.84067393]
 [0.15932607 0.15932607 0.5       ]
 [0.84067393 0.15932607 0.5       ]
 [0.15932607 0.84067393 0.5       ]
 [0.84067393 0.84067393 0.5       ]]
cellpar =  Cell([[5.240044268435347, -3.840751605439103e-32, 1.9915913271738288e-32], [-1.1214706800470557e-32, 5.240044268435347, -3.820987653824597e-19], [-1.9834136387371933e-32, -3.820987653824487e-19, 5.240044268435347]])
forces =  [[-9.22461760e-10 -9.22461760e-10 -9.22461760e-10]
 [ 9.22461760e-10  9.22461760e-10 -9.22461760e-10]
 [ 9.22461760e-10 -9.22461760e-10  9.22461760e-10]
 [-9.22461760e-10  9.22461760e-10  9.22461760e-10]
 [-9.22461760e-10 -9.22461760e-10  9.22461760e-10]
 [ 9.22461760e-10  9.22461760e-10  9.22461760e-10]
 [-9.22461760e-10  9.22461760e-10 -9.22461760e-10]
 [ 9.22461760e-10 -9.22461760e-10 -9.22461760e-10]
 [ 6.45885323e-32 -2.04644532e-09 -2.04644532e-09]
 [-1.19757904e-31  2.04644532e-09 -2.04644532e-09]
 [-3.36622945e-42 -2.04644532e-09  2.04644532e-09]
 [ 4.30590215e-32  2.04644532e-09  2.04644532e-09]
 [-2.04644532e-09  1.49289326e-28 -2.04644532e-09]
 [-2.04644532e-09 -1.49302782e-28  2.04644532e-09]
 [ 2.04644532e-09  1.49267796e-28 -2.04644532e-09]
 [ 2.04644532e-09 -1.49074031e-28  2.04644532e-09]
 [-2.04644532e-09 -2.04644532e-09  1.49274188e-28]
 [ 2.04644532e-09 -2.04644532e-09  1.49224737e-28]
 [-2.04644532e-09  2.04644532e-09 -1.49197825e-28]
 [ 2.04644532e-09  2.04644532e-09 -1.49144002e-28]]
stress =  [ 1.31786290e-11  1.31786290e-11  1.31786290e-11  7.60509196e-30
 -7.86447470e-60  2.84693057e-60]
energy per atom =  -7.166222675010976
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0