element(s):
['Ca']
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:
['3.5035']
model name:
EAM_IMD_BrommerGaehlerMihalkovic_2007_CaCd__MO_145183423516_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[3.5035, 0, 0], [0, 3.5035, 0], [0, 0, 3.5035]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:28:57       -0.863753         0.687999
BFGS:    1 17:28:57       -0.883027         0.636375
BFGS:    2 17:28:57       -0.959813         0.612726
BFGS:    3 17:28:57       -1.152690         1.382603
BFGS:    4 17:28:57       -1.220581         0.419128
BFGS:    5 17:28:57       -1.232829         0.248310
BFGS:    6 17:28:57       -1.221084         0.660729
BFGS:    7 17:28:57       -1.234311         0.030430
BFGS:    8 17:28:57       -1.234335         0.004059
BFGS:    9 17:28:57       -1.234335         0.000020
BFGS:   10 17:28:57       -1.234335         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.305226206991398e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[4.00836358585578, -1.2314843696526015e-32, 2.246016017046938e-32], [-5.8941634182466715e-33, 4.00836358585578, -1.8220258659075088e-17], [1.4191525427018119e-34, -1.822025865907508e-17, 4.00836358585578]])
forces =  [[0. 0. 0.]]
stress =  [-1.30522621e-10 -1.30522621e-10 -1.30522621e-10  1.92736807e-26
  1.50426557e-37  2.94650365e-54]
energy per atom =  -0.8502484809118038
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0