element(s):
['C']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['1.774']
model name:
DUNN_WenTadmor_2019v1_C__MO_584345505904_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:41:50       -7.409499         0.070102
BFGS:    1 10:41:50       -7.409711         0.070964
BFGS:    2 10:41:50       -7.419905         0.063775
BFGS:    3 10:41:51       -7.416575         0.089469
BFGS:    4 10:41:51       -7.421448         0.010031
BFGS:    5 10:41:51       -7.421513         0.001070
BFGS:    6 10:41:51       -7.421514         0.000279
BFGS:    7 10:41:51       -7.421514         0.000005
BFGS:    8 10:41:51       -7.421514         0.000000
BFGS:    9 10:41:51       -7.421514         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9521143558361269e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.8942290961038046, -3.7351879348309984e-33, -2.171394252906024e-33], [-4.6459349732092634e-33, 1.8942290961038046, 1.2646351838062732e-17], [8.463421634026407e-34, 1.2646351838062725e-17, 1.8942290961038046]])
forces =  [[0. 0. 0.]]
stress =  [-1.95211436e-13 -1.95211436e-13 -1.95211436e-13 -2.90614718e-30
  1.51286845e-62  6.59507069e-62]
energy per atom =  -0.027163218730637873
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0