element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
DUNN_WenTadmor_2019v1_C__MO_584345505904_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:23:37      -30.224810        0.8669
BFGS:    1 15:23:37      -30.251864        0.8825
BFGS:    2 15:23:38      -30.361142        0.7951
BFGS:    3 15:23:38      -30.418790        0.1185
BFGS:    4 15:23:38      -30.419942        0.1306
BFGS:    5 15:23:38      -30.420464        0.1405
BFGS:    6 15:23:38      -30.421620        0.1313
BFGS:    7 15:23:38      -30.422474        0.0931
BFGS:    8 15:23:38      -30.423042        0.0439
BFGS:    9 15:23:38      -30.423239        0.0386
BFGS:   10 15:23:38      -30.423427        0.0327
BFGS:   11 15:23:38      -30.423620        0.0284
BFGS:   12 15:23:39      -30.423698        0.0118
BFGS:   13 15:23:39      -30.423711        0.0017
BFGS:   14 15:23:39      -30.423712        0.0001
BFGS:   15 15:23:39      -30.423712        0.0000
BFGS:   16 15:23:39      -30.423712        0.0000
BFGS:   17 15:23:39      -30.423712        0.0000
BFGS:   18 15:23:39      -30.423712        0.0000
Minimization converged after 18 steps.
Maximum force component: 2.7905286662394268e-09 eV/Angstrom
Maximum stress component: 8.580396176858247e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.05767748]
 [0.66666666 0.33333334 0.55767748]
 [0.66666666 0.33333334 0.94232252]
 [0.33333333 0.66666667 0.44232252]]
cellpar =  Cell([[2.5987377753510827, 2.7634960878450636e-17, 2.0560849115908084e-37], [-1.2993688876755414, 2.250572931228296, 3.547888376464496e-37], [9.940929299015578e-37, 8.097279923568606e-37, 4.211518270821551]])
forces =  [[ 8.54184431e-32 -7.39745417e-32  2.79052867e-09]
 [ 6.58680466e-46  5.36521280e-46  2.79052867e-09]
 [-6.58680466e-46 -5.36521280e-46 -2.79052867e-09]
 [ 8.54184431e-32 -5.35612941e-46 -2.79052867e-09]]
stress =  [-8.58039618e-10 -8.58039618e-10 -3.59273885e-10  2.42747883e-32
  6.00645239e-33  1.70704243e-25]
energy per atom =  -0.21157748017760536
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0