element(s):
['C']
AFLOW prototype label:
A_oP16_62_4c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.0838', '0.27794535', '0.45742971', '0.80509054', '0.074368855', '0.18951676', '0.70009446', '0.5207376', '0.90843723', '0.46345886', '0.56850299']
model name:
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.80509054 0.25       0.07436885]
 [0.18951676 0.25       0.70009446]
 [0.5207376  0.25       0.90843723]
 [0.46345886 0.25       0.56850299]]
spacegroup =  62
cell =  [[9.0838, 0, 0], [0, 2.5248, 0], [0, 0, 4.1552]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:45:37     -109.024821         4.313628
BFGS:    1 09:45:37     -109.818429         0.929309
BFGS:    2 09:45:37     -109.872567         1.145263
BFGS:    3 09:45:38     -109.891133         1.110758
BFGS:    4 09:45:38     -109.943033         0.801120
BFGS:    5 09:45:38     -109.988839         0.770008
BFGS:    6 09:45:38     -110.036136         0.660965
BFGS:    7 09:45:38     -110.075576         0.531037
BFGS:    8 09:45:38     -110.106742         0.436116
BFGS:    9 09:45:38     -110.128085         0.306220
BFGS:   10 09:45:38     -110.138094         0.118937
BFGS:   11 09:45:38     -110.139047         0.074154
BFGS:   12 09:45:38     -110.139574         0.065232
BFGS:   13 09:45:38     -110.140244         0.056944
BFGS:   14 09:45:38     -110.140617         0.055914
BFGS:   15 09:45:38     -110.140856         0.031179
BFGS:   16 09:45:38     -110.141020         0.030778
BFGS:   17 09:45:38     -110.141226         0.036362
BFGS:   18 09:45:38     -110.141456         0.040906
BFGS:   19 09:45:38     -110.141611         0.026200
BFGS:   20 09:45:38     -110.141652         0.007155
BFGS:   21 09:45:38     -110.141656         0.000528
BFGS:   22 09:45:38     -110.141656         0.000205
BFGS:   23 09:45:38     -110.141656         0.000068
BFGS:   24 09:45:38     -110.141656         0.000062
BFGS:   25 09:45:38     -110.141656         0.000059
BFGS:   26 09:45:38     -110.141656         0.000050
BFGS:   27 09:45:38     -110.141656         0.000055
BFGS:   28 09:45:38     -110.141656         0.000030
BFGS:   29 09:45:38     -110.141656         0.000007
BFGS:   30 09:45:38     -110.141656         0.000000
BFGS:   31 09:45:38     -110.141656         0.000000
BFGS:   32 09:45:38     -110.141656         0.000000
Minimization converged after 32 steps.
Maximum force component: 8.194865564891027e-09 eV/Angstrom
Maximum stress component: 1.4779076464276342e-09 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']
basis =  [[0.80256879 0.25       0.06612721]
 [0.69743121 0.75       0.56612721]
 [0.19743121 0.75       0.93387279]
 [0.30256879 0.25       0.43387279]
 [0.19619856 0.25       0.69855861]
 [0.30380144 0.75       0.19855861]
 [0.80380144 0.75       0.30144139]
 [0.69619856 0.25       0.80144139]
 [0.52005485 0.25       0.90983528]
 [0.97994515 0.75       0.40983528]
 [0.47994515 0.75       0.09016472]
 [0.02005485 0.25       0.59016472]
 [0.46470466 0.25       0.56704013]
 [0.03529534 0.75       0.06704013]
 [0.53529534 0.75       0.43295987]
 [0.96470466 0.25       0.93295987]]
cellpar =  Cell([[9.309769220039225, -7.259346475311005e-36, 0.0], [-3.887023481253089e-36, 2.56183602789832, 0.0], [0.0, 0.0, 4.177579449891135]])
forces =  [[ 6.65576519e-10 -5.05233072e-31  4.96378746e-09]
 [-6.65576519e-10  5.18987146e-46  4.96378746e-09]
 [-6.65576519e-10  5.05233072e-31 -4.96378746e-09]
 [ 6.65576519e-10 -5.18987146e-46 -4.96378746e-09]
 [ 8.19486556e-09 -1.01046614e-30  3.59661230e-09]
 [-8.19486556e-09 -1.01046614e-30  3.59661230e-09]
 [-8.19486556e-09  1.01046614e-30 -3.59661230e-09]
 [ 8.19486556e-09 -7.57849608e-31 -3.59661230e-09]
 [-5.92619550e-09  5.05233072e-31 -2.54214991e-09]
 [ 5.92619550e-09  5.05233072e-31 -2.54214991e-09]
 [ 5.92619550e-09  5.05233072e-31  2.54214991e-09]
 [-5.92619550e-09  5.05233072e-31  2.54214991e-09]
 [-7.09727255e-09 -5.05233072e-31 -5.71178204e-09]
 [ 7.09727255e-09  2.52616536e-31 -5.71178204e-09]
 [ 7.09727255e-09 -5.05233072e-31  5.71178204e-09]
 [-7.09727255e-09  2.52616536e-31  5.71178204e-09]]
stress =  [4.76905518e-10 1.47790765e-09 3.86622936e-10 0.00000000e+00
 0.00000000e+00 5.53799268e-46]
energy per atom =  -6.883853522837293
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0