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:
MEAM_LAMMPS_KimJeonLee_2015_MgCa__MO_611309973581_001
==== 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 09:45:43       -4.410066         1.151166
BFGS:    1 09:45:43       -4.465455         1.152794
BFGS:    2 09:45:43       -4.634036         1.153787
BFGS:    3 09:45:43       -4.802167         1.148093
BFGS:    4 09:45:44       -4.968789         1.134679
BFGS:    5 09:45:44       -5.132685         1.112392
BFGS:    6 09:45:44       -5.292462         1.079951
BFGS:    7 09:45:44       -5.446528         1.035931
BFGS:    8 09:45:44       -5.593076         0.978750
BFGS:    9 09:45:44       -5.730057         0.906657
BFGS:   10 09:45:44       -5.855156         0.817710
BFGS:   11 09:45:44       -5.965763         0.709767
BFGS:   12 09:45:44       -6.058946         0.580467
BFGS:   13 09:45:44       -6.131419         0.427223
BFGS:   14 09:45:44       -6.179519         0.247227
BFGS:   15 09:45:44       -6.199197         0.037564
BFGS:   16 09:45:44       -6.199445         0.008427
BFGS:   17 09:45:44       -6.199448         0.009539
BFGS:   18 09:45:44       -6.199452         0.010772
BFGS:   19 09:45:44       -6.199468         0.013493
BFGS:   20 09:45:44       -6.199496         0.015445
BFGS:   21 09:45:44       -6.199545         0.014770
BFGS:   22 09:45:44       -6.199592         0.010095
BFGS:   23 09:45:44       -6.199612         0.006720
BFGS:   24 09:45:44       -6.199615         0.004293
BFGS:   25 09:45:44       -6.199616         0.004768
BFGS:   26 09:45:44       -6.199617         0.005443
BFGS:   27 09:45:44       -6.199621         0.006549
BFGS:   28 09:45:44       -6.199631         0.008570
BFGS:   29 09:45:44       -6.199660         0.012720
BFGS:   30 09:45:44       -6.199741         0.020981
BFGS:   31 09:45:44       -6.199815         0.021931
BFGS:   32 09:45:44       -6.199911         0.013877
BFGS:   33 09:45:44       -6.199979         0.003422
BFGS:   34 09:45:44       -6.199994         0.002490
BFGS:   35 09:45:44       -6.200000         0.000879
BFGS:   36 09:45:45       -6.200000         0.000123
BFGS:   37 09:45:45       -6.200000         0.000008
BFGS:   38 09:45:45       -6.200000         0.000001
BFGS:   39 09:45:45       -6.200000         0.000000
Minimization converged after 39 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.5251498692130104e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca', 'Ca', 'Ca']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.61408705e-54 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([[4.525483389125386, 2.784050257470418e-37, 0.0], [3.3052449028452747e-37, 4.525483384987072, 0.0], [0.0, 0.0, 4.525483391670308]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.16962802e-11 -3.45874980e-13  3.52514987e-11  0.00000000e+00
  0.00000000e+00 -4.70197743e-36]
energy per atom =  -1.5500000001746292
===============================================
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.