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_002
==== 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 16:54:56       -4.410066        1.1512
BFGS:    1 16:54:56       -4.465455        1.1528
BFGS:    2 16:54:56       -4.634036        1.1538
BFGS:    3 16:54:56       -4.802167        1.1481
BFGS:    4 16:54:56       -4.968789        1.1347
BFGS:    5 16:54:56       -5.132685        1.1124
BFGS:    6 16:54:56       -5.292462        1.0800
BFGS:    7 16:54:56       -5.446528        1.0359
BFGS:    8 16:54:56       -5.593076        0.9788
BFGS:    9 16:54:56       -5.730057        0.9067
BFGS:   10 16:54:56       -5.855156        0.8177
BFGS:   11 16:54:56       -5.965763        0.7098
BFGS:   12 16:54:56       -6.058946        0.5805
BFGS:   13 16:54:56       -6.131419        0.4272
BFGS:   14 16:54:56       -6.179519        0.2472
BFGS:   15 16:54:56       -6.199197        0.0376
BFGS:   16 16:54:56       -6.199445        0.0084
BFGS:   17 16:54:56       -6.199448        0.0095
BFGS:   18 16:54:56       -6.199452        0.0108
BFGS:   19 16:54:56       -6.199468        0.0135
BFGS:   20 16:54:56       -6.199496        0.0154
BFGS:   21 16:54:56       -6.199545        0.0148
BFGS:   22 16:54:56       -6.199592        0.0101
BFGS:   23 16:54:56       -6.199612        0.0067
BFGS:   24 16:54:56       -6.199615        0.0043
BFGS:   25 16:54:56       -6.199616        0.0048
BFGS:   26 16:54:56       -6.199617        0.0054
BFGS:   27 16:54:56       -6.199621        0.0065
BFGS:   28 16:54:56       -6.199631        0.0086
BFGS:   29 16:54:56       -6.199660        0.0127
BFGS:   30 16:54:56       -6.199741        0.0210
BFGS:   31 16:54:56       -6.199815        0.0219
BFGS:   32 16:54:56       -6.199911        0.0139
BFGS:   33 16:54:56       -6.199979        0.0034
BFGS:   34 16:54:56       -6.199994        0.0025
BFGS:   35 16:54:56       -6.200000        0.0009
BFGS:   36 16:54:56       -6.200000        0.0001
BFGS:   37 16:54:56       -6.200000        0.0000
BFGS:   38 16:54:56       -6.200000        0.0000
BFGS:   39 16:54:56       -6.200000        0.0000
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.