element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:40:50     -117.513265         0.554482
BFGS:    1 20:40:50     -117.523533         0.290870
BFGS:    2 20:40:50     -117.527458         0.196475
BFGS:    3 20:40:51     -117.529659         0.178609
BFGS:    4 20:40:51     -117.530870         0.164164
BFGS:    5 20:40:51     -117.531636         0.140954
BFGS:    6 20:40:51     -117.533621         0.137860
BFGS:    7 20:40:51     -117.535487         0.110124
BFGS:    8 20:40:52     -117.535937         0.035005
BFGS:    9 20:40:52     -117.535979         0.007156
BFGS:   10 20:40:52     -117.535982         0.006839
BFGS:   11 20:40:52     -117.535985         0.006100
BFGS:   12 20:40:53     -117.535990         0.005600
BFGS:   13 20:40:53     -117.535996         0.005149
BFGS:   14 20:40:53     -117.535998         0.002205
BFGS:   15 20:40:53     -117.535999         0.000346
BFGS:   16 20:40:54     -117.535999         0.000026
BFGS:   17 20:40:54     -117.535999         0.000002
BFGS:   18 20:40:54     -117.535999         0.000000
BFGS:   19 20:40:54     -117.535999         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.1304039371218268e-09 eV/Angstrom
Maximum stress component: 1.253587805497083e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 4.68749980e-02]
 [0.00000000e+00 3.19695357e-35 5.46874998e-01]
 [0.00000000e+00 1.16926316e-35 9.53125002e-01]
 [2.39369974e-35 8.37005776e-36 4.53125002e-01]
 [3.33333333e-01 6.66666667e-01 7.81249973e-02]
 [6.66666667e-01 3.33333333e-01 5.78124997e-01]
 [6.66666667e-01 3.33333333e-01 9.21875003e-01]
 [3.33333333e-01 6.66666667e-01 4.21875003e-01]
 [3.33333333e-01 6.66666667e-01 1.71874993e-01]
 [6.66666667e-01 3.33333333e-01 6.71874993e-01]
 [6.66666667e-01 3.33333333e-01 8.28125007e-01]
 [3.33333333e-01 6.66666667e-01 3.28125007e-01]
 [3.33333333e-01 6.66666667e-01 7.96875000e-01]
 [6.66666667e-01 3.33333333e-01 2.96875000e-01]
 [6.66666667e-01 3.33333333e-01 2.03125000e-01]
 [3.33333333e-01 6.66666667e-01 7.03125000e-01]]
cellpar =  Cell([[2.522251955736971, -4.626537411566257e-20, -3.446516291967539e-35], [-1.2611259778684856, 2.1843342684132003, -6.879329728374002e-35], [-2.2644403528086756e-34, -6.561280069631049e-34, 16.47528177462774]])
forces =  [[-9.94852980e-31  5.74378636e-31  2.16631102e-10]
 [ 7.04687528e-31 -3.58986648e-31  2.16631102e-10]
 [-8.29044150e-32 -4.30783977e-31 -2.16631102e-10]
 [-8.29044150e-31  2.87189318e-31 -2.16631102e-10]
 [ 1.65808830e-31 -2.87189318e-31 -1.13040394e-09]
 [-2.48713245e-31 -7.17973295e-32 -1.13040394e-09]
 [-1.65808830e-31  2.87189318e-31  1.13040394e-09]
 [ 1.65808830e-31  2.87189318e-31  1.13040394e-09]
 [-6.21783113e-31  5.02581307e-31  8.16143085e-10]
 [ 4.97426490e-31 -2.87189318e-31  8.16143085e-10]
 [ 9.11948565e-31 -4.30783977e-31 -8.16143085e-10]
 [-6.63235320e-31  5.74378636e-31 -8.16143085e-10]
 [-6.63235320e-31  5.74378636e-31  1.21896793e-10]
 [ 1.49227947e-30 -8.61567954e-31  1.21896793e-10]
 [ 9.94852980e-31 -5.74378636e-31 -1.21896793e-10]
 [-1.16066181e-30  2.87189318e-31 -1.21896793e-10]]
stress =  [-7.13149490e-11 -7.13149490e-11 -1.25358781e-10  7.30680013e-33
 -3.98682432e-42  7.92739044e-27]
energy per atom =  -7.345999914528061
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 [Errno 12] Cannot allocate memory
No parameter sets in this group successfully added a property instance. Skipping this group.