Number of particles = 511
# (required) this must be the first line

A = 1.0 Angstrom (basic length-scale)
# (optional) basic length-scale: default A = 1.0 [Angstrom]

H0(1,1) = 18.7681964556033 A
H0(1,2) = 0 A
H0(1,3) = 0 A
# (required) this is the supercell's 1st edge, in A

H0(2,1) = 1.14922058575617e-15 A
H0(2,2) = 18.7681964556033 A
H0(2,3) = 0 A
# (required) this is the supercell's 2nd edge, in A

H0(3,1) = 1.14922058575617e-15 A
H0(3,2) = 1.14922058575617e-15 A
H0(3,3) = 18.7681964556033 A
# (required) this is the supercell's 3rd edge, in A

Transform(1,1) = 1
Transform(1,2) = 0
Transform(1,3) = 0
Transform(2,1) = 0
Transform(2,2) = 1
Transform(2,3) = 0
Transform(3,1) = 0
Transform(3,2) = 0
Transform(3,3) = 1
# (optional) apply additional transformation on H0:  H = H0 * Transform;
# default = Identity matrix.

eta(1,1) = 0
eta(1,2) = 0
eta(1,3) = 0
eta(2,2) = 0
eta(2,3) = 0
eta(3,3) = 0
# (optional) apply additional Lagrangian strain on H0:
# H = H0 * sqrt(Identity_matrix + 2 * eta);
# default = zero matrix.

# ENSUING ARE THE ATOMS, EACH ATOM DESCRIBED BY A ROW
# 1st entry is atomic mass in a.m.u.
# 2nd entry is the chemical symbol (max 2 chars)

# 3rd entry is reduced coordinate s1 (dimensionless)
# 4th entry is reduced coordinate s2 (dimensionless)
# 5th entry is reduced coordinate s3 (dimensionless)
# real coordinates x = s * H,  x, s are 1x3 row vectors

# 6th entry is d(s1)/dt in basic rate-scale R
# 7th entry is d(s2)/dt in basic rate-scale R
# 8th entry is d(s3)/dt in basic rate-scale R
R = 1.0 [ns^-1]
# (optional) basic rate-scale: default R = 1.0 [ns^-1]

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91.224 Zr .812510324648864 .937502863384551 .437489675351136 0 0 0
91.224 Zr .937510701073432 .812510701073432 .437488755050356 0 0 0
91.224 Zr .937538540595275 .937507582037037 .312461459404725 0 0 0
12.011  C .937522186907842 .812522186907842 .312477813092158 0 0 0
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91.224 Zr .812514870523805 .937508561878923 .937508561878923 0 0 0
91.224 Zr .937538540595275 .812538540595275 .937507582037037 0 0 0
91.224 Zr .937538540595275 .937507582037037 .812538540595275 0 0 0
12.011  C .937522186907842 .812522186907842 .812522186907842 0 0 0
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12.011  C .812517439922627 .812515139030831 .937506466790758 0 0 0
12.011  C .812517439922627 .937506466790758 .812515139030831 0 0 0

# Analysis of this configuration:
# 
# supercell volume = 6611.00708028774 = 6611.00708028774 A^3
# avg. atomic volume = 12.9373915465513 = 12.9373915465513 A^3
# atomic number density = 0.0772953339474807 = 0.0772953339474807 A^-3
# avg. mass density = 6.63515224334083 g/cm^3
# 
# 511 mobile atoms,
# average velocity = ( 0  0  0 ),
# total kinetic energy = 0 = 0 [eV]
# avg. atomic kinetic energy = 0 = 0 [eV]
# = 0 [kJ/mol]
# MD temperature = 0 = 0 [K].
# 
# -------------- Species Summary --------------
# Type  Mass[amu]   Count  Abundance  Wt. Pct.
#  Zr     91.224      256    50.10%    88.41%
#   C     12.011      255    49.90%    11.59%
# ---------------------------------------------