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_JangSeolLee_2019_CaZnMg__MO_708495328010_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 14:48:04       -3.665511        0.1657
BFGS:    1 14:48:04       -3.666415        0.1477
BFGS:    2 14:48:04       -3.669861        0.0148
BFGS:    3 14:48:04       -3.669878        0.0197
BFGS:    4 14:48:04       -3.669889        0.0207
BFGS:    5 14:48:04       -3.669919        0.0187
BFGS:    6 14:48:04       -3.669946        0.0116
BFGS:    7 14:48:04       -3.669960        0.0035
BFGS:    8 14:48:04       -3.669962        0.0008
BFGS:    9 14:48:04       -3.669962        0.0001
BFGS:   10 14:48:04       -3.669962        0.0000
BFGS:   11 14:48:04       -3.669962        0.0000
BFGS:   12 14:48:04       -3.669962        0.0000
Minimization converged after 12 steps.
Maximum force component: 3.0339190694919118e-33 eV/Angstrom
Maximum stress component: 5.565716461495194e-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([[3.9382521133929407, -1.5961401359901222e-18, -6.121380295816397e-39], [-1.9691260566964703, 3.41062637670604, -1.1701660542934922e-38], [-9.062348481222779e-37, -2.4284681786254854e-36, 6.478929512749301]])
forces =  [[-3.03391907e-33  1.75163399e-33 -2.86592769e-72]
 [ 3.03391907e-33 -1.75163399e-33  2.86592769e-72]]
stress =  [-5.56571646e-11 -5.56571646e-11 -1.30426026e-11  4.64838201e-35
 -1.30358471e-47  9.40056090e-27]
energy per atom =  -1.8349810658570795
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0