Number of particles = 28
# (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) = 18.9171565359027 A
H0(1,2) = 0 A
H0(1,3) = 0 A
# (required) this is the supercell's 1st edge, in A

H0(2,1) = 0 A
H0(2,2) = 18.9171565359027 A
H0(2,3) = 0 A
# (required) this is the supercell's 2nd edge, in A

H0(3,1) = 0 A
H0(3,2) = 0 A
H0(3,3) = 2.45085189270996 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]

12.011  C .75 .5 0 0 0 0
12.011  C .738893201446535 .573688793602726 0 0 0 0
12.011  C .725242216975605 .60847093477939 .5 0 0 0
12.011  C .683262967957457 .67004318444273 .5 0 0 0
12.011  C .655872450464683 .695457870617007 0 0 0 0
12.011  C .591335256091599 .732718437161051 0 0 0 0
12.011  C .555630233489079 .743731978045456 .5 0 0 0
12.011  C .481317476603394 .749300949295295 .5 0 0 0
12.011  C .444369766510921 .743731978045456 0 0 0 0
12.011  C .375 .71650635094611 0 0 0 0
12.011  C .344127549535317 .695457870617007 .5 0 0 0
12.011  C .293440306421001 .640830014515906 .5 0 0 0
12.011  C .274757783024395 .60847093477939 0 0 0 0
12.011  C .252792293443718 .537260566544044 0 0 0 0
12.011  C .25 .5 .5 0 0 0
12.011  C .261106798553465 .426311206397274 .5 0 0 0
12.011  C .274757783024395 .39152906522061 0 0 0 0
12.011  C .316737032042543 .32995681555727 0 0 0 0
12.011  C .344127549535317 .304542129382993 .5 0 0 0
12.011  C .408664743908401 .267281562838949 .5 0 0 0
12.011  C .444369766510921 .256268021954544 0 0 0 0
12.011  C .518682523396606 .250699050704705 0 0 0 0
12.011  C .555630233489079 .256268021954544 .5 0 0 0
12.011  C .625 .28349364905389 .5 0 0 0
12.011  C .655872450464683 .304542129382993 0 0 0 0
12.011  C .706559693578999 .359169985484095 0 0 0 0
12.011  C .725242216975605 .39152906522061 .5 0 0 0
12.011  C .747207706556282 .462739433455956 .5 0 0 0

# Analysis of this configuration:
# 
# supercell volume = 877.058945252051 = 877.058945252051 A^3
# avg. atomic volume = 31.3235337590018 = 31.3235337590018 A^3
# atomic number density = 0.0319248781984126 = 0.0319248781984126 A^-3
# avg. mass density = 0.636733097090483 g/cm^3
# 
# 28 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.
#   C     12.011       28   100.00%   100.00%
# ---------------------------------------------