element(s):
['Ca']
AFLOW prototype label:
A_oF4_69_a
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6138', '0.95457622', '0.98761979']
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 =  69
cell =  [[5.3588, 0, 0], [0, 5.5443, 0], [0, 0, 5.6138]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:43:40       -5.402868         1.529613
BFGS:    1 09:43:40       -5.479854         1.572529
BFGS:    2 09:43:40       -5.611671         1.472395
BFGS:    3 09:43:40       -5.692252         1.117628
BFGS:    4 09:43:40       -5.731136         0.624841
BFGS:    5 09:43:40       -5.741987         0.334679
BFGS:    6 09:43:40       -5.745976         0.333290
BFGS:    7 09:43:40       -5.760999         0.214948
BFGS:    8 09:43:40       -5.762445         0.068156
BFGS:    9 09:43:40       -5.762596         0.038961
BFGS:   10 09:43:40       -5.762624         0.021247
BFGS:   11 09:43:40       -5.762643         0.017019
BFGS:   12 09:43:40       -5.762654         0.006814
BFGS:   13 09:43:40       -5.762656         0.001190
BFGS:   14 09:43:40       -5.762656         0.000153
BFGS:   15 09:43:40       -5.762656         0.000006
BFGS:   16 09:43:40       -5.762656         0.000000
BFGS:   17 09:43:40       -5.762656         0.000000
Minimization converged after 17 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.805448594642416e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.47284915e-53 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.670906417835279, -4.687658746287621e-37, 0.0], [-1.3363757029887117e-36, 5.670906417612905, 0.0], [0.0, 0.0, 5.670906417590525]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.78665155e-11 -6.34654386e-11 -6.80544859e-11  0.00000000e+00
  0.00000000e+00  1.07456002e-47]
energy per atom =  -1.056577469773134
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oF4_69_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.