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 10:41:48       -0.863753         0.687999
BFGS:    1 10:41:48       -0.883027         0.636375
BFGS:    2 10:41:48       -0.959813         0.612726
BFGS:    3 10:41:48       -1.152690         1.382603
BFGS:    4 10:41:48       -1.220581         0.419128
BFGS:    5 10:41:48       -1.232829         0.248310
BFGS:    6 10:41:48       -1.221084         0.660729
BFGS:    7 10:41:48       -1.234311         0.030430
BFGS:    8 10:41:48       -1.234335         0.004059
BFGS:    9 10:41:48       -1.234335         0.000020
BFGS:   10 10:41:48       -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, 1.485222888424464e-32, 8.463615497602242e-33], [1.1341798500473376e-32, 4.00836358585578, 1.0366876102246615e-17], [1.8729683385119614e-32, 1.0366876102246608e-17, 4.00836358585578]])
forces =  [[0. 0. 0.]]
stress =  [-1.30522621e-10 -1.30522621e-10 -1.30522621e-10 -3.91373970e-26
 -5.44793325e-37 -2.24810996e-52]
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