element(s):
['Ca']
AFLOW prototype label:
A_oC2_65_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:
['3.7599', '1.719966', '0.92776404']
model name:
MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  65
cell =  [[3.7599, 0, 0], [0, 6.4669, 0], [0, 0, 3.4883]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:40:49       -2.774860         1.167735
BFGS:    1 09:40:49       -2.796757         1.035664
BFGS:    2 09:40:49       -2.847240         0.694158
BFGS:    3 09:40:49       -2.878440         0.422856
BFGS:    4 09:40:49       -2.894301         0.209619
BFGS:    5 09:40:50       -2.898475         0.110262
BFGS:    6 09:40:50       -2.899161         0.118518
BFGS:    7 09:40:50       -2.900185         0.113010
BFGS:    8 09:40:50       -2.901477         0.080244
BFGS:    9 09:40:50       -2.902288         0.030526
BFGS:   10 09:40:50       -2.902498         0.012966
BFGS:   11 09:40:50       -2.902534         0.002739
BFGS:   12 09:40:50       -2.902535         0.001852
BFGS:   13 09:40:50       -2.902535         0.001569
BFGS:   14 09:40:50       -2.902535         0.001696
BFGS:   15 09:40:50       -2.902536         0.001405
BFGS:   16 09:40:50       -2.902536         0.000610
BFGS:   17 09:40:50       -2.902536         0.000169
BFGS:   18 09:40:50       -2.902536         0.000023
BFGS:   19 09:40:50       -2.902536         0.000001
BFGS:   20 09:40:50       -2.902536         0.000000
BFGS:   21 09:40:50       -2.902536         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.6690910431435157e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.810661797850361, 5.496516752849781e-36, 0.0], [-5.346098783540989e-35, 6.600259843917191, 0.0], [0.0, 0.0, 3.9147574475404894]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.99332844e-11 -2.66909104e-11  8.55368499e-12  0.00000000e+00
  0.00000000e+00  4.87119343e-46]
energy per atom =  -1.4512679236927675
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_oC2_65_a, while relaxed is A_hP1_191_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.