element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
DUNN_WenTadmor_2019v2_C__MO_956135237832_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:24:01      -63.663117         1.275691
BFGS:    1 17:24:01      -63.730607         1.193175
BFGS:    2 17:24:01      -63.892786         0.970780
BFGS:    3 17:24:02      -64.022264         0.756138
BFGS:    4 17:24:02      -64.119453         0.538232
BFGS:    5 17:24:02      -64.183162         0.309184
BFGS:    6 17:24:02      -64.211637         0.068758
BFGS:    7 17:24:02      -64.213076         0.001831
BFGS:    8 17:24:02      -64.213077         0.000010
BFGS:    9 17:24:03      -64.213077         0.000000
Minimization converged after 9 steps.
Maximum force component: 7.19296956570141e-31 eV/Angstrom
Maximum stress component: 1.6500332865126937e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[3.9788387726769945, 4.305543203086504e-33, -5.5103476505552685e-33], [-1.218561182415343e-32, 3.9788387726769945, -1.7742094087157945e-18], [7.911750349399621e-34, -1.7742094087158053e-18, 3.9788387726769945]])
forces =  [[ 2.57475615e-31  4.74082085e-31  4.90429743e-31]
 [-2.61562530e-31  3.26953162e-31  1.63476581e-31]
 [-5.02690487e-31  1.26694350e-31  1.63476581e-31]
 [ 1.30781265e-31  7.19296957e-31  4.90429743e-32]
 [ 1.30781265e-31 -2.91584258e-50  6.53906324e-32]
 [ 2.23247706e-31  5.88515692e-31  6.53906324e-32]
 [-2.45214872e-32  6.53906324e-32  3.67822307e-32]
 [ 5.88515692e-31 -4.57734427e-31 -5.55820376e-31]]
stress =  [ 1.65003329e-10  1.65003329e-10  1.65003329e-10  6.63110680e-27
  2.95914886e-59 -1.69947387e-58]
energy per atom =  -0.6640761239458399
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0