Number of particles = 499
# (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) = 18.0750003870952 A
H0(1,2) = 0 A
H0(1,3) = 0 A
# (required) this is the supercell's 1st edge, in A

H0(2,1) = 1.10677456843216e-15 A
H0(2,2) = 18.0750003870952 A
H0(2,3) = 0 A
# (required) this is the supercell's 2nd edge, in A

H0(3,1) = 1.10677456843216e-15 A
H0(3,2) = 1.10677456843216e-15 A
H0(3,3) = 18.0750003870952 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]

63.546 Cu .05 .148761164159411 .148761164159411 0 0 0
63.546 Cu .148761164159411 .05 .148761164159411 0 0 0
63.546 Cu .148761164159411 .148761164159411 .05 0 0 0
63.546 Cu .0500000000000001 .05 .250455080031351 0 0 0
63.546 Cu .05 .149994795198696 .350031647563587 0 0 0
63.546 Cu .149994795198696 .05 .350031647563587 0 0 0
63.546 Cu .149701754556016 .149701754556016 .249597409565354 0 0 0
63.546 Cu .05 .05 .450012310022486 0 0 0
63.546 Cu .05 .150001757403218 .55 0 0 0
63.546 Cu .150001757403218 .05 .55 0 0 0
63.546 Cu .149997795439639 .149997795439639 .450005579128328 0 0 0
63.546 Cu .05 .05 .649987689977514 0 0 0
63.546 Cu .0500000000000001 .149994795198696 .749968352436413 0 0 0
63.546 Cu .149994795198696 .05 .749968352436413 0 0 0
63.546 Cu .149997795439639 .149997795439639 .649994420871672 0 0 0
63.546 Cu .05 .05 .849544919968649 0 0 0
63.546 Cu .05 .148761164159411 .951238835840589 0 0 0
63.546 Cu .148761164159411 .05 .951238835840589 0 0 0
63.546 Cu .149701754556016 .149701754556016 .850402590434646 0 0 0
63.546 Cu .05 .250455080031351 .05 0 0 0
63.546 Cu .0500000000000001 .350031647563588 .149994795198696 0 0 0
63.546 Cu .149701754556016 .249597409565354 .149701754556016 0 0 0
63.546 Cu .149994795198696 .350031647563588 .05 0 0 0
63.546 Cu .0500000000000001 .249421004760731 .249421004760731 0 0 0
63.546 Cu .05 .349775130348564 .349775130348564 0 0 0
63.546 Cu .149899438771706 .249833642931708 .349795929744177 0 0 0
63.546 Cu .149899438771706 .349795929744177 .249833642931708 0 0 0
63.546 Cu .05 .249978986293166 .449985092919041 0 0 0
63.546 Cu .05 .349976765785902 .55 0 0 0
63.546 Cu .149998543033962 .249994860897196 .55 0 0 0
63.546 Cu .149966129189739 .349921475774666 .449910456189865 0 0 0
63.546 Cu .05 .249978986293166 .650014907080959 0 0 0
63.546 Cu .05 .349775130348564 .750224869651436 0 0 0
63.546 Cu .149899438771706 .249833642931708 .750204070255823 0 0 0
63.546 Cu .149966129189739 .349921475774666 .650089543810135 0 0 0
63.546 Cu .05 .249421004760731 .850578995239269 0 0 0
63.546 Cu .05 .350031647563587 .950005204801304 0 0 0
63.546 Cu .149701754556016 .249597409565354 .950298245443984 0 0 0
63.546 Cu .149899438771706 .349795929744177 .850166357068292 0 0 0
63.546 Cu .0500000000000001 .450012310022486 .05 0 0 0
63.546 Cu .05 .55 .150001757403218 0 0 0
63.546 Cu .149997795439639 .450005579128328 .149997795439639 0 0 0
63.546 Cu .150001757403218 .55 .05 0 0 0
63.546 Cu .05 .449985092919041 .249978986293166 0 0 0
63.546 Cu .05 .55 .349976765785902 0 0 0
63.546 Cu .149966129189739 .449910456189865 .349921475774666 0 0 0
63.546 Cu .149998543033962 .55 .249994860897196 0 0 0
63.546 Cu .05 .449921417852602 .449921417852603 0 0 0
63.546 Cu .05 .55 .55 0 0 0
63.546 Cu .149973496550557 .449958634239678 .55 0 0 0
63.546 Cu .149973496550557 .55 .449958634239678 0 0 0
63.546 Cu .05 .449921417852602 .650078582147398 0 0 0
63.546 Cu .05 .55 .750023234214098 0 0 0
63.546 Cu .149966129189739 .449910456189865 .750078524225334 0 0 0
63.546 Cu .149973496550557 .55 .650041365760322 0 0 0
63.546 Cu .05 .449985092919042 .850021013706834 0 0 0
63.546 Cu .05 .55 .949998242596782 0 0 0
63.546 Cu .149997795439639 .450005579128328 .950002204560361 0 0 0
63.546 Cu .149998543033962 .55 .850005139102804 0 0 0
63.546 Cu .05 .649987689977514 .05 0 0 0
63.546 Cu .05 .749968352436412 .149994795198696 0 0 0
63.546 Cu .149997795439639 .649994420871672 .149997795439639 0 0 0
63.546 Cu .149994795198696 .749968352436413 .05 0 0 0
63.546 Cu .05 .650014907080958 .249978986293166 0 0 0
63.546 Cu .05 .750224869651436 .349775130348564 0 0 0
63.546 Cu .149966129189739 .650089543810135 .349921475774666 0 0 0
63.546 Cu .149899438771706 .750204070255823 .249833642931708 0 0 0
63.546 Cu .05 .650078582147398 .449921417852603 0 0 0
63.546 Cu .0500000000000001 .750023234214098 .55 0 0 0
63.546 Cu .149973496550557 .650041365760322 .55 0 0 0
63.546 Cu .149966129189739 .750078524225334 .449910456189865 0 0 0
63.546 Cu .05 .650078582147398 .650078582147398 0 0 0
63.546 Cu .0499999999999999 .750224869651436 .750224869651436 0 0 0
63.546 Cu .149966129189739 .650089543810135 .750078524225334 0 0 0
63.546 Cu .149966129189739 .750078524225334 .650089543810135 0 0 0
63.546 Cu .05 .650014907080959 .850021013706834 0 0 0
63.546 Cu .05 .749968352436413 .950005204801304 0 0 0
63.546 Cu .149997795439639 .649994420871672 .950002204560361 0 0 0
63.546 Cu .149899438771706 .750204070255823 .850166357068292 0 0 0
63.546 Cu .05 .849544919968649 .0500000000000001 0 0 0
63.546 Cu .05 .951238835840589 .148761164159411 0 0 0
63.546 Cu .149701754556016 .850402590434646 .149701754556016 0 0 0
63.546 Cu .148761164159411 .951238835840589 .05 0 0 0
63.546 Cu .05 .850578995239269 .249421004760731 0 0 0
63.546 Cu .05 .950005204801304 .350031647563587 0 0 0
63.546 Cu .149899438771706 .850166357068292 .349795929744177 0 0 0
63.546 Cu .149701754556016 .950298245443984 .249597409565354 0 0 0
63.546 Cu .05 .850021013706834 .449985092919041 0 0 0
63.546 Cu .05 .949998242596782 .55 0 0 0
63.546 Cu .149998543033962 .850005139102804 .55 0 0 0
63.546 Cu .149997795439639 .950002204560361 .450005579128328 0 0 0
63.546 Cu .0499999999999999 .850021013706834 .650014907080959 0 0 0
63.546 Cu .0499999999999999 .950005204801304 .749968352436413 0 0 0
63.546 Cu .149899438771706 .850166357068292 .750204070255823 0 0 0
63.546 Cu .149997795439639 .950002204560361 .649994420871672 0 0 0
63.546 Cu .0499999999999999 .850578995239269 .850578995239269 0 0 0
63.546 Cu .05 .951238835840589 .951238835840589 0 0 0
63.546 Cu .149701754556016 .850402590434646 .950298245443984 0 0 0
63.546 Cu .149701754556016 .950298245443984 .850402590434646 0 0 0
63.546 Cu .250455080031351 .05 .05 0 0 0
63.546 Cu .249597409565354 .149701754556016 .149701754556016 0 0 0
63.546 Cu .350031647563588 .05 .149994795198696 0 0 0
63.546 Cu .350031647563587 .149994795198696 .05 0 0 0
63.546 Cu .249421004760731 .05 .249421004760731 0 0 0
63.546 Cu .249833642931708 .149899438771706 .349795929744177 0 0 0
63.546 Cu .349775130348564 .05 .349775130348564 0 0 0
63.546 Cu .349795929744177 .149899438771706 .249833642931708 0 0 0
63.546 Cu .249978986293166 .05 .449985092919041 0 0 0
63.546 Cu .249994860897196 .149998543033962 .55 0 0 0
63.546 Cu .349976765785902 .05 .55 0 0 0
63.546 Cu .349921475774666 .149966129189739 .449910456189865 0 0 0
63.546 Cu .249978986293166 .05 .650014907080959 0 0 0
63.546 Cu .249833642931708 .149899438771706 .750204070255823 0 0 0
63.546 Cu .349775130348564 .05 .750224869651436 0 0 0
63.546 Cu .349921475774666 .149966129189739 .650089543810135 0 0 0
63.546 Cu .249421004760731 .05 .850578995239269 0 0 0
63.546 Cu .249597409565354 .149701754556016 .950298245443984 0 0 0
63.546 Cu .350031647563587 .05 .950005204801304 0 0 0
63.546 Cu .349795929744177 .149899438771706 .850166357068292 0 0 0
63.546 Cu .249421004760731 .249421004760731 .05 0 0 0
63.546 Cu .249833642931708 .349795929744177 .149899438771706 0 0 0
63.546 Cu .349795929744177 .249833642931708 .149899438771706 0 0 0
63.546 Cu .349775130348564 .349775130348564 .05 0 0 0
63.546 Cu .249775136358369 .249775136358369 .249775136358369 0 0 0
63.546 Cu .249910298556708 .349878682724026 .349878682724026 0 0 0
63.546 Cu .349878682724026 .249910298556708 .349878682724026 0 0 0
63.546 Cu .349878682724026 .349878682724026 .249910298556708 0 0 0
63.546 Cu .249941145787409 .249941145787409 .449909744086803 0 0 0
63.546 Cu .249959142672915 .34995186598925 .55 0 0 0
63.546 Cu .34995186598925 .249959142672915 .55 0 0 0
63.546 Cu .349942523505622 .349942523505622 .449947355550233 0 0 0
63.546 Cu .249941145787409 .249941145787409 .650090255913197 0 0 0
63.546 Cu .249910298556708 .349878682724026 .750121317275974 0 0 0
63.546 Cu .349878682724026 .249910298556708 .750121317275974 0 0 0
63.546 Cu .349942523505622 .349942523505622 .650052644449767 0 0 0
63.546 Cu .249775136358369 .249775136358369 .850224863641631 0 0 0
63.546 Cu .249833642931708 .349795929744177 .950100561228294 0 0 0
63.546 Cu .349795929744177 .249833642931708 .950100561228294 0 0 0
63.546 Cu .349878682724026 .349878682724026 .850089701443292 0 0 0
63.546 Cu .249978986293166 .449985092919042 .05 0 0 0
63.546 Cu .249994860897196 .55 .149998543033962 0 0 0
63.546 Cu .349921475774666 .449910456189865 .149966129189739 0 0 0
63.546 Cu .349976765785902 .55 .05 0 0 0
63.546 Cu .249941145787409 .449909744086803 .249941145787409 0 0 0
63.546 Cu .249959142672915 .55 .34995186598925 0 0 0
63.546 Cu .349942523505622 .449947355550233 .349942523505622 0 0 0
63.546 Cu .34995186598925 .55 .249959142672915 0 0 0
63.546 Cu .24995448869742 .449952614470496 .449952614470496 0 0 0
63.546 Cu .249960349334481 .55 .55 0 0 0
63.546 Cu .349958597349253 .449969222641566 .55 0 0 0
63.546 Cu .349958597349253 .55 .449969222641566 0 0 0
63.546 Cu .24995448869742 .449952614470496 .650047385529504 0 0 0
63.546 Cu .249959142672915 .55 .75004813401075 0 0 0
63.546 Cu .349942523505622 .449947355550233 .750057476494378 0 0 0
63.546 Cu .349958597349253 .55 .650030777358434 0 0 0
63.546 Cu .249941145787409 .449909744086803 .850058854212591 0 0 0
63.546 Cu .249994860897196 .55 .950001456966038 0 0 0
63.546 Cu .349921475774666 .449910456189865 .950033870810261 0 0 0
63.546 Cu .34995186598925 .55 .850040857327085 0 0 0
63.546 Cu .249978986293166 .650014907080959 .05 0 0 0
63.546 Cu .249833642931708 .750204070255823 .149899438771706 0 0 0
63.546 Cu .349921475774666 .650089543810135 .149966129189739 0 0 0
63.546 Cu .349775130348564 .750224869651436 .05 0 0 0
63.546 Cu .249941145787409 .650090255913197 .249941145787409 0 0 0
63.546 Cu .249910298556708 .750121317275974 .349878682724026 0 0 0
63.546 Cu .349942523505622 .650052644449767 .349942523505622 0 0 0
63.546 Cu .349878682724026 .750121317275974 .249910298556708 0 0 0
63.546 Cu .24995448869742 .650047385529504 .449952614470496 0 0 0
63.546 Cu .249959142672915 .75004813401075 .55 0 0 0
63.546 Cu .349958597349253 .650030777358434 .55 0 0 0
63.546 Cu .349942523505622 .750057476494378 .449947355550233 0 0 0
63.546 Cu .24995448869742 .650047385529505 .650047385529504 0 0 0
63.546 Cu .249910298556708 .750121317275974 .750121317275974 0 0 0
63.546 Cu .349942523505622 .650052644449767 .750057476494378 0 0 0
63.546 Cu .349942523505622 .750057476494378 .650052644449767 0 0 0
63.546 Cu .249941145787409 .650090255913197 .850058854212591 0 0 0
63.546 Cu .249833642931708 .750204070255823 .950100561228294 0 0 0
63.546 Cu .349921475774666 .650089543810135 .950033870810261 0 0 0
63.546 Cu .349878682724026 .750121317275974 .850089701443292 0 0 0
63.546 Cu .249421004760731 .850578995239269 .05 0 0 0
63.546 Cu .249597409565354 .950298245443984 .149701754556016 0 0 0
63.546 Cu .349795929744177 .850166357068292 .149899438771706 0 0 0
63.546 Cu .350031647563587 .950005204801304 .05 0 0 0
63.546 Cu .249775136358369 .850224863641631 .249775136358369 0 0 0
63.546 Cu .249833642931708 .950100561228294 .349795929744177 0 0 0
63.546 Cu .349878682724026 .850089701443292 .349878682724026 0 0 0
63.546 Cu .349795929744177 .950100561228294 .249833642931708 0 0 0
63.546 Cu .249941145787409 .850058854212591 .449909744086803 0 0 0
63.546 Cu .249994860897196 .950001456966038 .55 0 0 0
63.546 Cu .34995186598925 .850040857327085 .55 0 0 0
63.546 Cu .349921475774666 .950033870810261 .449910456189865 0 0 0
63.546 Cu .249941145787409 .850058854212591 .650090255913197 0 0 0
63.546 Cu .249833642931708 .950100561228294 .750204070255823 0 0 0
63.546 Cu .349878682724026 .850089701443292 .750121317275974 0 0 0
63.546 Cu .349921475774666 .950033870810261 .650089543810135 0 0 0
63.546 Cu .249775136358369 .850224863641631 .850224863641631 0 0 0
63.546 Cu .249597409565354 .950298245443984 .950298245443984 0 0 0
63.546 Cu .349795929744177 .850166357068292 .950100561228294 0 0 0
63.546 Cu .349795929744177 .950100561228294 .850166357068292 0 0 0
63.546 Cu .450012310022486 .05 .05 0 0 0
63.546 Cu .450005579128328 .149997795439639 .149997795439639 0 0 0
63.546 Cu .55 .05 .150001757403218 0 0 0
63.546 Cu .55 .150001757403218 .05 0 0 0
63.546 Cu .449985092919042 .05 .249978986293166 0 0 0
63.546 Cu .449910456189865 .149966129189739 .349921475774666 0 0 0
63.546 Cu .55 .05 .349976765785902 0 0 0
63.546 Cu .55 .149998543033962 .249994860897196 0 0 0
63.546 Cu .449921417852602 .05 .449921417852602 0 0 0
63.546 Cu .449958634239678 .149973496550557 .55 0 0 0
63.546 Cu .55 .05 .55 0 0 0
63.546 Cu .55 .149973496550557 .449958634239678 0 0 0
63.546 Cu .449921417852603 .05 .650078582147398 0 0 0
63.546 Cu .449910456189865 .149966129189739 .750078524225334 0 0 0
63.546 Cu .55 .05 .750023234214098 0 0 0
63.546 Cu .55 .149973496550557 .650041365760322 0 0 0
63.546 Cu .449985092919042 .05 .850021013706834 0 0 0
63.546 Cu .450005579128328 .149997795439639 .950002204560361 0 0 0
63.546 Cu .55 .05 .949998242596782 0 0 0
63.546 Cu .55 .149998543033962 .850005139102804 0 0 0
63.546 Cu .449985092919042 .249978986293166 .05 0 0 0
63.546 Cu .449910456189865 .349921475774666 .149966129189739 0 0 0
63.546 Cu .55 .249994860897196 .149998543033962 0 0 0
63.546 Cu .55 .349976765785902 .05 0 0 0
63.546 Cu .449909744086803 .249941145787409 .249941145787409 0 0 0
63.546 Cu .449947355550233 .349942523505622 .349942523505622 0 0 0
63.546 Cu .55 .249959142672915 .34995186598925 0 0 0
63.546 Cu .55 .34995186598925 .249959142672915 0 0 0
63.546 Cu .449952614470496 .24995448869742 .449952614470496 0 0 0
63.546 Cu .449969222641566 .349958597349253 .55 0 0 0
63.546 Cu .55 .249960349334481 .55 0 0 0
63.546 Cu .55 .349958597349253 .449969222641566 0 0 0
63.546 Cu .449952614470496 .24995448869742 .650047385529504 0 0 0
63.546 Cu .449947355550233 .349942523505622 .750057476494378 0 0 0
63.546 Cu .55 .249959142672915 .75004813401075 0 0 0
63.546 Cu .55 .349958597349253 .650030777358434 0 0 0
63.546 Cu .449909744086803 .249941145787409 .850058854212591 0 0 0
63.546 Cu .449910456189865 .349921475774666 .950033870810261 0 0 0
63.546 Cu .55 .249994860897196 .950001456966038 0 0 0
63.546 Cu .55 .34995186598925 .850040857327085 0 0 0
63.546 Cu .449921417852602 .449921417852602 .05 0 0 0
63.546 Cu .449958634239678 .55 .149973496550557 0 0 0
63.546 Cu .55 .449958634239678 .149973496550557 0 0 0
63.546 Cu .55 .55 .05 0 0 0
63.546 Cu .449952614470496 .449952614470496 .24995448869742 0 0 0
63.546 Cu .449969222641566 .55 .349958597349253 0 0 0
63.546 Cu .55 .449969222641566 .349958597349253 0 0 0
63.546 Cu .55 .55 .249960349334481 0 0 0
63.546 Cu .449970872280045 .449970872280045 .449970872280045 0 0 0
63.546 Cu .449975767483636 .55 .55 0 0 0
63.546 Cu .55 .449975767483636 .55 0 0 0
63.546 Cu .55 .55 .449975767483636 0 0 0
63.546 Cu .449970872280045 .449970872280045 .650029127719955 0 0 0
63.546 Cu .449969222641566 .55 .750041402650747 0 0 0
63.546 Cu .55 .449969222641566 .750041402650747 0 0 0
63.546 Cu .55 .55 .650024232516364 0 0 0
63.546 Cu .449952614470496 .449952614470496 .85004551130258 0 0 0
63.546 Cu .449958634239678 .55 .950026503449443 0 0 0
63.546 Cu .55 .449958634239678 .950026503449443 0 0 0
63.546 Cu .55 .55 .850039650665519 0 0 0
63.546 Cu .449921417852603 .650078582147398 .0500000000000001 0 0 0
63.546 Cu .449910456189865 .750078524225334 .149966129189739 0 0 0
63.546 Cu .55 .650041365760322 .149973496550557 0 0 0
63.546 Cu .55 .750023234214098 .05 0 0 0
63.546 Cu .449952614470496 .650047385529504 .24995448869742 0 0 0
63.546 Cu .449947355550233 .750057476494378 .349942523505622 0 0 0
63.546 Cu .55 .650030777358434 .349958597349253 0 0 0
63.546 Cu .55 .75004813401075 .249959142672915 0 0 0
63.546 Cu .449970872280045 .650029127719955 .449970872280045 0 0 0
63.546 Cu .449969222641566 .750041402650747 .55 0 0 0
63.546 Cu .55 .650024232516364 .55 0 0 0
63.546 Cu .55 .750041402650747 .449969222641566 0 0 0
63.546 Cu .449970872280045 .650029127719955 .650029127719955 0 0 0
63.546 Cu .449947355550233 .750057476494378 .750057476494378 0 0 0
63.546 Cu .55 .650030777358434 .750041402650747 0 0 0
63.546 Cu .55 .750041402650747 .650030777358434 0 0 0
63.546 Cu .449952614470496 .650047385529504 .85004551130258 0 0 0
63.546 Cu .449910456189865 .750078524225334 .950033870810261 0 0 0
63.546 Cu .55 .650041365760322 .950026503449443 0 0 0
63.546 Cu .55 .75004813401075 .850040857327085 0 0 0
63.546 Cu .449985092919042 .850021013706834 .05 0 0 0
63.546 Cu .450005579128328 .950002204560361 .149997795439639 0 0 0
63.546 Cu .55 .850005139102804 .149998543033962 0 0 0
63.546 Cu .55 .949998242596782 .05 0 0 0
63.546 Cu .449909744086803 .850058854212591 .249941145787409 0 0 0
63.546 Cu .449910456189865 .950033870810261 .349921475774666 0 0 0
63.546 Cu .55 .850040857327085 .34995186598925 0 0 0
63.546 Cu .55 .950001456966038 .249994860897196 0 0 0
63.546 Cu .449952614470496 .85004551130258 .449952614470496 0 0 0
63.546 Cu .449958634239678 .950026503449443 .55 0 0 0
63.546 Cu .55 .850039650665519 .55 0 0 0
63.546 Cu .55 .950026503449443 .449958634239678 0 0 0
63.546 Cu .449952614470496 .85004551130258 .650047385529504 0 0 0
63.546 Cu .449910456189865 .950033870810261 .750078524225334 0 0 0
63.546 Cu .55 .850040857327085 .75004813401075 0 0 0
63.546 Cu .55 .950026503449443 .650041365760322 0 0 0
63.546 Cu .449909744086803 .850058854212591 .850058854212591 0 0 0
63.546 Cu .450005579128328 .950002204560361 .950002204560361 0 0 0
63.546 Cu .55 .850005139102804 .950001456966038 0 0 0
63.546 Cu .55 .950001456966038 .850005139102804 0 0 0
63.546 Cu .649987689977514 .05 .05 0 0 0
63.546 Cu .649994420871672 .149997795439639 .149997795439639 0 0 0
63.546 Cu .749968352436413 .05 .149994795198696 0 0 0
63.546 Cu .749968352436413 .149994795198696 .05 0 0 0
63.546 Cu .650014907080959 .05 .249978986293166 0 0 0
63.546 Cu .650089543810135 .149966129189739 .349921475774666 0 0 0
63.546 Cu .750224869651436 .05 .349775130348564 0 0 0
63.546 Cu .750204070255823 .149899438771706 .249833642931708 0 0 0
63.546 Cu .650078582147398 .05 .449921417852602 0 0 0
63.546 Cu .650041365760322 .149973496550557 .55 0 0 0
63.546 Cu .750023234214098 .05 .55 0 0 0
63.546 Cu .750078524225334 .149966129189739 .449910456189865 0 0 0
63.546 Cu .650078582147398 .05 .650078582147397 0 0 0
63.546 Cu .650089543810135 .149966129189739 .750078524225333 0 0 0
63.546 Cu .750224869651436 .05 .750224869651436 0 0 0
63.546 Cu .750078524225334 .149966129189739 .650089543810135 0 0 0
63.546 Cu .650014907080959 .05 .850021013706834 0 0 0
63.546 Cu .649994420871672 .149997795439639 .950002204560361 0 0 0
63.546 Cu .749968352436413 .05 .950005204801304 0 0 0
63.546 Cu .750204070255823 .149899438771706 .850166357068292 0 0 0
63.546 Cu .650014907080959 .249978986293166 .0500000000000001 0 0 0
63.546 Cu .650089543810135 .349921475774666 .149966129189739 0 0 0
63.546 Cu .750204070255823 .249833642931708 .149899438771706 0 0 0
63.546 Cu .750224869651436 .349775130348564 .05 0 0 0
63.546 Cu .650090255913197 .249941145787409 .249941145787409 0 0 0
63.546 Cu .650052644449767 .349942523505622 .349942523505622 0 0 0
63.546 Cu .750121317275974 .249910298556708 .349878682724026 0 0 0
63.546 Cu .750121317275974 .349878682724026 .249910298556708 0 0 0
63.546 Cu .650047385529504 .24995448869742 .449952614470496 0 0 0
63.546 Cu .650030777358434 .349958597349253 .55 0 0 0
63.546 Cu .75004813401075 .249959142672915 .55 0 0 0
63.546 Cu .750057476494378 .349942523505622 .449947355550233 0 0 0
63.546 Cu .650047385529505 .24995448869742 .650047385529504 0 0 0
63.546 Cu .650052644449767 .349942523505622 .750057476494378 0 0 0
63.546 Cu .750121317275974 .249910298556708 .750121317275974 0 0 0
63.546 Cu .750057476494378 .349942523505622 .650052644449767 0 0 0
63.546 Cu .650090255913197 .249941145787409 .850058854212591 0 0 0
63.546 Cu .650089543810135 .349921475774666 .950033870810261 0 0 0
63.546 Cu .750204070255823 .249833642931708 .950100561228294 0 0 0
63.546 Cu .750121317275974 .349878682724026 .850089701443292 0 0 0
63.546 Cu .650078582147398 .449921417852602 .05 0 0 0
63.546 Cu .650041365760322 .55 .149973496550557 0 0 0
63.546 Cu .750078524225334 .449910456189865 .149966129189739 0 0 0
63.546 Cu .750023234214098 .55 .0500000000000001 0 0 0
63.546 Cu .650047385529504 .449952614470495 .24995448869742 0 0 0
63.546 Cu .650030777358434 .55 .349958597349253 0 0 0
63.546 Cu .750057476494378 .449947355550233 .349942523505622 0 0 0
63.546 Cu .75004813401075 .55 .249959142672915 0 0 0
63.546 Cu .650029127719955 .449970872280045 .449970872280045 0 0 0
63.546 Cu .650024232516364 .55 .55 0 0 0
63.546 Cu .750041402650747 .449969222641566 .55 0 0 0
63.546 Cu .750041402650747 .55 .449969222641566 0 0 0
63.546 Cu .650029127719955 .449970872280045 .650029127719955 0 0 0
63.546 Cu .650030777358435 .55 .750041402650747 0 0 0
63.546 Cu .750057476494378 .449947355550233 .750057476494378 0 0 0
63.546 Cu .750041402650747 .55 .650030777358434 0 0 0
63.546 Cu .650047385529504 .449952614470496 .85004551130258 0 0 0
63.546 Cu .650041365760322 .55 .950026503449443 0 0 0
63.546 Cu .750078524225334 .449910456189865 .950033870810261 0 0 0
63.546 Cu .75004813401075 .55 .850040857327085 0 0 0
63.546 Cu .650078582147398 .650078582147398 .05 0 0 0
63.546 Cu .650089543810135 .750078524225334 .149966129189739 0 0 0
63.546 Cu .750078524225334 .650089543810135 .149966129189739 0 0 0
63.546 Cu .750224869651436 .750224869651436 .05 0 0 0
63.546 Cu .650047385529504 .650047385529504 .24995448869742 0 0 0
63.546 Cu .650052644449767 .750057476494378 .349942523505622 0 0 0
63.546 Cu .750057476494378 .650052644449767 .349942523505622 0 0 0
63.546 Cu .750121317275974 .750121317275974 .249910298556708 0 0 0
63.546 Cu .650029127719955 .650029127719955 .449970872280045 0 0 0
63.546 Cu .650030777358434 .750041402650747 .55 0 0 0
63.546 Cu .750041402650747 .650030777358434 .55 0 0 0
63.546 Cu .750057476494378 .750057476494378 .449947355550233 0 0 0
63.546 Cu .650029127719955 .650029127719955 .650029127719955 0 0 0
63.546 Cu .650052644449767 .750057476494378 .750057476494378 0 0 0
63.546 Cu .750057476494378 .650052644449767 .750057476494378 0 0 0
63.546 Cu .750057476494378 .750057476494378 .650052644449767 0 0 0
63.546 Cu .650047385529504 .650047385529504 .85004551130258 0 0 0
63.546 Cu .650089543810135 .750078524225334 .950033870810261 0 0 0
63.546 Cu .750078524225334 .650089543810135 .950033870810261 0 0 0
63.546 Cu .750121317275974 .750121317275974 .850089701443292 0 0 0
63.546 Cu .650014907080959 .850021013706834 .05 0 0 0
63.546 Cu .649994420871672 .950002204560361 .149997795439639 0 0 0
63.546 Cu .750204070255823 .850166357068292 .149899438771706 0 0 0
63.546 Cu .749968352436413 .950005204801304 .05 0 0 0
63.546 Cu .650090255913197 .850058854212591 .249941145787409 0 0 0
63.546 Cu .650089543810135 .950033870810261 .349921475774666 0 0 0
63.546 Cu .750121317275974 .850089701443292 .349878682724026 0 0 0
63.546 Cu .750204070255823 .950100561228294 .249833642931708 0 0 0
63.546 Cu .650047385529504 .85004551130258 .449952614470495 0 0 0
63.546 Cu .650041365760322 .950026503449443 .55 0 0 0
63.546 Cu .75004813401075 .850040857327085 .55 0 0 0
63.546 Cu .750078524225334 .950033870810261 .449910456189865 0 0 0
63.546 Cu .650047385529505 .85004551130258 .650047385529504 0 0 0
63.546 Cu .650089543810135 .950033870810261 .750078524225334 0 0 0
63.546 Cu .750121317275974 .850089701443292 .750121317275974 0 0 0
63.546 Cu .750078524225334 .950033870810261 .650089543810135 0 0 0
63.546 Cu .650090255913197 .850058854212591 .850058854212591 0 0 0
63.546 Cu .649994420871672 .950002204560361 .950002204560361 0 0 0
63.546 Cu .750204070255823 .850166357068292 .950100561228294 0 0 0
63.546 Cu .750204070255823 .950100561228294 .850166357068292 0 0 0
63.546 Cu .849544919968649 .05 .05 0 0 0
63.546 Cu .850402590434646 .149701754556016 .149701754556016 0 0 0
63.546 Cu .951238835840589 .05 .148761164159411 0 0 0
63.546 Cu .951238835840589 .148761164159411 .0500000000000001 0 0 0
63.546 Cu .850578995239269 .05 .249421004760731 0 0 0
63.546 Cu .850166357068292 .149899438771706 .349795929744177 0 0 0
63.546 Cu .950005204801304 .05 .350031647563587 0 0 0
63.546 Cu .950298245443984 .149701754556016 .249597409565354 0 0 0
63.546 Cu .850021013706834 .05 .449985092919041 0 0 0
63.546 Cu .850005139102804 .149998543033962 .55 0 0 0
63.546 Cu .949998242596782 .05 .55 0 0 0
63.546 Cu .950002204560361 .149997795439639 .450005579128328 0 0 0
63.546 Cu .850021013706834 .05 .650014907080958 0 0 0
63.546 Cu .850166357068292 .149899438771706 .750204070255823 0 0 0
63.546 Cu .950005204801304 .05 .749968352436413 0 0 0
63.546 Cu .950002204560361 .149997795439639 .649994420871672 0 0 0
63.546 Cu .850578995239269 .05 .850578995239269 0 0 0
63.546 Cu .850402590434646 .149701754556016 .950298245443984 0 0 0
63.546 Cu .951238835840589 .05 .951238835840589 0 0 0
63.546 Cu .950298245443984 .149701754556016 .850402590434646 0 0 0
63.546 Cu .850578995239269 .249421004760731 .05 0 0 0
63.546 Cu .850166357068292 .349795929744177 .149899438771706 0 0 0
63.546 Cu .950298245443984 .249597409565354 .149701754556016 0 0 0
63.546 Cu .950005204801304 .350031647563587 .05 0 0 0
63.546 Cu .850224863641631 .249775136358369 .249775136358369 0 0 0
63.546 Cu .850089701443292 .349878682724026 .349878682724026 0 0 0
63.546 Cu .950100561228294 .249833642931708 .349795929744177 0 0 0
63.546 Cu .950100561228294 .349795929744177 .249833642931708 0 0 0
63.546 Cu .850058854212591 .249941145787409 .449909744086803 0 0 0
63.546 Cu .850040857327085 .34995186598925 .55 0 0 0
63.546 Cu .950001456966038 .249994860897196 .55 0 0 0
63.546 Cu .950033870810261 .349921475774666 .449910456189865 0 0 0
63.546 Cu .850058854212591 .249941145787409 .650090255913197 0 0 0
63.546 Cu .850089701443292 .349878682724026 .750121317275974 0 0 0
63.546 Cu .950100561228294 .249833642931708 .750204070255823 0 0 0
63.546 Cu .950033870810261 .349921475774666 .650089543810135 0 0 0
63.546 Cu .850224863641631 .249775136358369 .850224863641631 0 0 0
63.546 Cu .850166357068292 .349795929744177 .950100561228294 0 0 0
63.546 Cu .950298245443984 .249597409565354 .950298245443984 0 0 0
63.546 Cu .950100561228294 .349795929744177 .850166357068292 0 0 0
63.546 Cu .850021013706834 .449985092919042 .05 0 0 0
63.546 Cu .850005139102804 .55 .149998543033962 0 0 0
63.546 Cu .950002204560361 .450005579128328 .149997795439639 0 0 0
63.546 Cu .949998242596782 .55 .05 0 0 0
63.546 Cu .850058854212591 .449909744086803 .249941145787409 0 0 0
63.546 Cu .850040857327085 .55 .34995186598925 0 0 0
63.546 Cu .950033870810261 .449910456189865 .349921475774666 0 0 0
63.546 Cu .950001456966038 .55 .249994860897196 0 0 0
63.546 Cu .85004551130258 .449952614470495 .449952614470496 0 0 0
63.546 Cu .850039650665519 .55 .55 0 0 0
63.546 Cu .950026503449443 .449958634239678 .55 0 0 0
63.546 Cu .950026503449443 .55 .449958634239678 0 0 0
63.546 Cu .85004551130258 .449952614470496 .650047385529505 0 0 0
63.546 Cu .850040857327085 .55 .75004813401075 0 0 0
63.546 Cu .950033870810261 .449910456189865 .750078524225334 0 0 0
63.546 Cu .950026503449443 .55 .650041365760322 0 0 0
63.546 Cu .850058854212591 .449909744086803 .850058854212591 0 0 0
63.546 Cu .850005139102804 .55 .950001456966038 0 0 0
63.546 Cu .950002204560361 .450005579128328 .950002204560361 0 0 0
63.546 Cu .950001456966038 .55 .850005139102804 0 0 0
63.546 Cu .850021013706834 .650014907080959 .05 0 0 0
63.546 Cu .850166357068292 .750204070255823 .149899438771706 0 0 0
63.546 Cu .950002204560361 .649994420871672 .149997795439639 0 0 0
63.546 Cu .950005204801304 .749968352436412 .05 0 0 0
63.546 Cu .850058854212591 .650090255913197 .249941145787409 0 0 0
63.546 Cu .850089701443292 .750121317275974 .349878682724026 0 0 0
63.546 Cu .950033870810261 .650089543810135 .349921475774666 0 0 0
63.546 Cu .950100561228294 .750204070255823 .249833642931708 0 0 0
63.546 Cu .85004551130258 .650047385529504 .449952614470496 0 0 0
63.546 Cu .850040857327085 .75004813401075 .55 0 0 0
63.546 Cu .950026503449443 .650041365760322 .55 0 0 0
63.546 Cu .950033870810261 .750078524225334 .449910456189865 0 0 0
63.546 Cu .85004551130258 .650047385529504 .650047385529504 0 0 0
63.546 Cu .850089701443292 .750121317275974 .750121317275974 0 0 0
63.546 Cu .950033870810261 .650089543810135 .750078524225333 0 0 0
63.546 Cu .950033870810261 .750078524225334 .650089543810135 0 0 0
63.546 Cu .850058854212591 .650090255913197 .850058854212591 0 0 0
63.546 Cu .850166357068292 .750204070255823 .950100561228294 0 0 0
63.546 Cu .950002204560361 .649994420871672 .950002204560361 0 0 0
63.546 Cu .950100561228294 .750204070255823 .850166357068292 0 0 0
63.546 Cu .850578995239269 .850578995239269 .05 0 0 0
63.546 Cu .850402590434646 .950298245443984 .149701754556016 0 0 0
63.546 Cu .950298245443984 .850402590434646 .149701754556016 0 0 0
63.546 Cu .951238835840589 .951238835840589 .05 0 0 0
63.546 Cu .850224863641631 .850224863641631 .249775136358369 0 0 0
63.546 Cu .850166357068292 .950100561228294 .349795929744177 0 0 0
63.546 Cu .950100561228294 .850166357068292 .349795929744177 0 0 0
63.546 Cu .950298245443984 .950298245443984 .249597409565354 0 0 0
63.546 Cu .850058854212591 .850058854212591 .449909744086803 0 0 0
63.546 Cu .850005139102804 .950001456966038 .55 0 0 0
63.546 Cu .950001456966038 .850005139102804 .55 0 0 0
63.546 Cu .950002204560361 .950002204560361 .450005579128328 0 0 0
63.546 Cu .850058854212591 .850058854212591 .650090255913197 0 0 0
63.546 Cu .850166357068292 .950100561228294 .750204070255823 0 0 0
63.546 Cu .950100561228294 .850166357068292 .750204070255823 0 0 0
63.546 Cu .950002204560361 .950002204560361 .649994420871672 0 0 0
63.546 Cu .850224863641631 .850224863641631 .850224863641631 0 0 0
63.546 Cu .850402590434646 .950298245443984 .950298245443984 0 0 0
63.546 Cu .950298245443984 .850402590434646 .950298245443984 0 0 0
63.546 Cu .950298245443984 .950298245443984 .850402590434646 0 0 0

# Analysis of this configuration:
# 
# supercell volume = 5905.20455127355 = 5905.20455127355 A^3
# avg. atomic volume = 11.8340772570612 = 11.8340772570612 A^3
# atomic number density = 0.0845017299006828 = 0.0845017299006828 A^-3
# avg. mass density = 8.91667273402962 g/cm^3
# 
# 499 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.
#  Cu     63.546      499   100.00%   100.00%
# ---------------------------------------------