element(s):
['Ca']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8897', '1.6595367']
model name:
MEAM_LAMMPS_KimJeonLee_2015_MgCa__MO_611309973581_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.8897, 0, 0], [-1.94485, 3.3685790131003, 0], [0, 0, 6.4551]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:01:51       -2.172879         1.135297
BFGS:    1 17:01:51       -2.228045         1.139330
BFGS:    2 17:01:51       -2.398189         1.135456
BFGS:    3 17:01:51       -2.565100         1.100492
BFGS:    4 17:01:51       -2.723254         1.024405
BFGS:    5 17:01:51       -2.865461         0.894773
BFGS:    6 17:01:51       -2.982503         0.696326
BFGS:    7 17:01:51       -3.062747         0.410508
BFGS:    8 17:01:51       -3.091871         0.026575
BFGS:    9 17:01:51       -3.091911         0.028196
BFGS:   10 17:01:51       -3.091931         0.027617
BFGS:   11 17:01:51       -3.092051         0.008002
BFGS:   12 17:01:51       -3.092056         0.001570
BFGS:   13 17:01:51       -3.092057         0.000106
BFGS:   14 17:01:51       -3.092057         0.000005
BFGS:   15 17:01:51       -3.092057         0.000000
BFGS:   16 17:01:51       -3.092057         0.000000
Minimization converged after 16 steps.
Maximum force component: 6.561428735464594e-33 eV/Angstrom
Maximum stress component: 5.4387651632543806e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca', 'Ca']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.193958044748715, -7.551361885800427e-17, -1.4339561893404304e-36], [-1.5969790223743574, 2.76604880537406, -1.892394936672619e-36], [3.688575488234351e-36, 5.911149068301597e-36, 5.252638949956671]])
forces =  [[-6.56142874e-33  1.55129536e-49  2.94581244e-69]
 [ 6.56142874e-33 -1.55129536e-49 -2.94581244e-69]]
stress =  [-4.64010019e-11 -4.64010019e-11 -5.43876516e-11 -3.18137115e-34
  6.12255164e-35  4.91111181e-27]
energy per atom =  -1.546028425112322
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0