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 16:15:27      -30.224810         0.866894
BFGS:    1 16:15:28      -30.251864         0.882548
BFGS:    2 16:15:28      -30.361142         0.795093
BFGS:    3 16:15:28      -30.418790         0.118495
BFGS:    4 16:15:28      -30.419942         0.130615
BFGS:    5 16:15:28      -30.420464         0.140547
BFGS:    6 16:15:28      -30.421620         0.131346
BFGS:    7 16:15:28      -30.422474         0.093055
BFGS:    8 16:15:28      -30.423042         0.043932
BFGS:    9 16:15:28      -30.423239         0.038566
BFGS:   10 16:15:28      -30.423427         0.032700
BFGS:   11 16:15:29      -30.423620         0.028385
BFGS:   12 16:15:29      -30.423698         0.011765
BFGS:   13 16:15:29      -30.423711         0.001655
BFGS:   14 16:15:29      -30.423712         0.000142
BFGS:   15 16:15:29      -30.423712         0.000014
BFGS:   16 16:15:29      -30.423712         0.000002
BFGS:   17 16:15:29      -30.423712         0.000000
BFGS:   18 16:15:29      -30.423712         0.000000
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