Model Extended KIM ID = 
=== Verification check vc-inversion-symmetry start (2018-12-15 06:04:03) ===
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!!!!!  VERIFICATION CHECK: vc-inversion-symmetry  !!!!!
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Description: Check whether a model is invariant with respect to the inversion
             operation where each atom is moved along a straight line through
             the inversion center to a point of equal distance on the other
             side. This is satisfied for all inversion centers if the model is
             invariant to rigid-body translation, and has inversion symmetry
             about the origin. Invariance symmetry is expected from the
             properties of the quantum mechanics Hamiltonian operator. It should
             be true for any model that does not depend on an external field.
             The check is performed for a randomly distorted non-periodic body-
             centered cubic (BCC) cube base structure. Separate configurations
             are tested for each species supported by the model, as well as one
             containing a random distribution of all species.  The energy and
             forces of each configuration are compared with those of the same
             configuration translated in a random direction by an irrational
             distance and then inverted through the origin. The energies must be
             the same and the forces must change sign.  The verification check
             will pass if the energy of all configurations that the model is
             able to compute pass both tests. Configurations used for testing
             are provided as auxiliary files.

Author: Ellad Tadmor

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Results for KIM Model      : EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Fe__MO_681088298208_000
Supported species          : Fe

random seed                = 13
lattice constant (orig)    = 3.000
perturbation amplitude     = 0.300
number unit cells per side = 2
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MONOATOMIC STRUCTURE -- Species = Fe   (Configuration in file "config-Fe.xyz")
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Translation vector = -2.66141896e+00   1.53057101e-01  -1.66223556e+00

Energy requirement:

V(-(r_1+c),...,-(r_N+c)) = V(r_1,...,r_N), where r_i is the position of atom i, V is the potential energy, 
and c is a translation vector.

V(-(r_1+c),...,-(r_N+c)) = -40.9970847537
V(r_1+c,...,r_N+c)       = -40.9970847537
V(r_1,...,r_N)           = -40.9970847537

Forces requirement:

f_i(-(r_1+c),...,-(r_N+c)) = -f_i(r_1,...,r_N), where r_i is the position of atom i, f_i is the force 
on atom i, and c is a translation vector.

  i                f_i(-(r_1+c),...,-(r_N+c))                                   -f_i(r_1,...,r_N)
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  0   -1.65837277e+00   -1.41605848e+00   -1.49990298e+00   |   -1.65837277e+00   -1.41605848e+00   -1.49990298e+00   
  1    3.00302662e+00   -3.47983901e+00   -2.23815558e+00   |    3.00302662e+00   -3.47983901e+00   -2.23815558e+00   
  2   -1.13579379e+00    1.44078945e+00    1.09191331e+00   |   -1.13579379e+00    1.44078945e+00    1.09191331e+00   
  3    1.22381811e+00   -8.24061499e-01   -8.20888445e-01   |    1.22381811e+00   -8.24061499e-01   -8.20888445e-01   
  4   -1.66838676e+00    1.10217645e+00   -1.41453142e+00   |   -1.66838676e+00    1.10217645e+00   -1.41453142e+00   
  5    4.73758274e+00   -3.43665631e+00   -4.28556190e+00   |    4.73758274e+00   -3.43665631e+00   -4.28556190e+00   
  6   -4.55713643e+00    3.93708479e+00    3.28688323e+00   |   -4.55713643e+00    3.93708479e+00    3.28688323e+00   
  7    2.30043165e+00    2.05731232e+00   -9.77915480e-01   |    2.30043165e+00    2.05731232e+00   -9.77915480e-01   
  8   -1.32519426e+00   -1.41251835e+00    5.30946085e-01   |   -1.32519426e+00   -1.41251835e+00    5.30946085e-01   
  9   -4.75694267e-01   -8.89873628e-01    2.64656791e+00   |   -4.75694267e-01   -8.89873628e-01    2.64656791e+00   
 10    2.80122172e-01   -1.33097351e+00   -7.67840943e-01   |    2.80122172e-01   -1.33097351e+00   -7.67840943e-01   
 11    2.07359359e+00   -1.07450135e+00    1.56189380e+00   |    2.07359359e+00   -1.07450135e+00    1.56189380e+00   
 12   -1.99019407e+00    1.18695962e+00    8.76404981e-01   |   -1.99019407e+00    1.18695962e+00    8.76404981e-01   
 13   -9.46176270e-01    1.91726906e+00    1.52923460e+00   |   -9.46176270e-01    1.91726906e+00    1.52923460e+00   
 14   -1.32138885e+00    9.89343872e-01   -1.23994902e+00   |   -1.32138885e+00    9.89343872e-01   -1.23994902e+00   
 15    1.45976260e+00    1.23354657e+00    1.72090185e+00   |    1.45976260e+00    1.23354657e+00    1.72090185e+00   
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PASS: Energies and forces are the same to within a relative error of 1e-08
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=========================================================================================================================
To pass this verification check the model must be invariant with respect to
translation and have inversion symmetry about the origin for all configurations 
it was able to compute.

Grade: P

Comment: Model energy has inversion symmetry for all configurations the model was able to compute.


=== Verification check vc-inversion-symmetry end (2018-12-15 06:04:04) ===