element(s):
['Ca', 'Cd']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.839']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca', 'Cd']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[3.839, 0, 0], [0, 3.839, 0], [0, 0, 3.839]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:24:24       -1.154389         0.667380
BFGS:    1 12:24:24       -1.173371         0.659565
BFGS:    2 12:24:24       -1.267159         0.577126
BFGS:    3 12:24:24       -1.341142         0.386906
BFGS:    4 12:24:24       -1.374712         0.023514
BFGS:    5 12:24:24       -1.374787         0.008318
BFGS:    6 12:24:24       -1.374798         0.000114
BFGS:    7 12:24:24       -1.374798         0.000001
BFGS:    8 12:24:24       -1.374798         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4885349381921772e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Cd']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.5281649869748524, -5.6139864138634916e-33, -1.5221624954356069e-34], [-7.415355246895308e-33, 3.5281649869748524, 5.642622388082925e-18], [3.670978369429841e-33, 5.642622388082912e-18, 3.5281649869748524]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.48853494e-12 -1.48853494e-12 -1.48853494e-12  8.76246896e-30
  3.30066489e-34 -1.21607073e-50]
energy per atom =  -0.6873987633716666
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0