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 .0512388452904484 .0512388452904484 0 0 0
63.546 Cu .148761154709552 .0512388452904484 .15 0 0 0
63.546 Cu .148761154709552 .15 .0512388452904484 0 0 0
63.546 Cu .05 .0512388452904484 .248761154709552 0 0 0
63.546 Cu .05 .15 .350455077982357 0 0 0
63.546 Cu .149701751867633 .0502982481323671 .349597402586502 0 0 0
63.546 Cu .148761154709552 .15 .248761154709552 0 0 0
63.546 Cu .05 .050005206480833 .450031647018716 0 0 0
63.546 Cu .05 .15 .550012303899956 0 0 0
63.546 Cu .149997794634485 .0500022053655148 .550005573434766 0 0 0
63.546 Cu .149994793519167 .15 .450031647018716 0 0 0
63.546 Cu .05 .0499982504890773 .65 0 0 0
63.546 Cu .05 .15 .749987696100044 0 0 0
63.546 Cu .149997794634485 .0500022053655148 .749994426565234 0 0 0
63.546 Cu .150001749510923 .15 .65 0 0 0
63.546 Cu .05 .050005206480833 .849968352981284 0 0 0
63.546 Cu .05 .15 .949544922017643 0 0 0
63.546 Cu .149701751867633 .0502982481323671 .950402597413498 0 0 0
63.546 Cu .149994793519167 .15 .849968352981284 0 0 0
63.546 Cu .05 .248761154709552 .0512388452904484 0 0 0
63.546 Cu .05 .350455077982357 .15 0 0 0
63.546 Cu .148761154709552 .248761154709552 .15 0 0 0
63.546 Cu .149701751867633 .349597402586502 .0502982481323671 0 0 0
63.546 Cu .05 .248761154709552 .248761154709552 0 0 0
63.546 Cu .05 .349420996269139 .349420996269139 0 0 0
63.546 Cu .149701751867633 .249701751867633 .349597402586502 0 0 0
63.546 Cu .149701751867633 .349597402586502 .249701751867633 0 0 0
63.546 Cu .05 .249994793519167 .450031647018716 0 0 0
63.546 Cu .05 .349978976194942 .549985088201297 0 0 0
63.546 Cu .149997794634485 .249997794634485 .550005573434766 0 0 0
63.546 Cu .149899440322176 .349833638248122 .449795922372103 0 0 0
63.546 Cu .05 .250001749510923 .65 0 0 0
63.546 Cu .0500000000000001 .349978976194942 .750014911798703 0 0 0
63.546 Cu .149997794634485 .249997794634485 .749994426565234 0 0 0
63.546 Cu .149998543630526 .349994849898444 .65 0 0 0
63.546 Cu .05 .249994793519167 .849968352981284 0 0 0
63.546 Cu .05 .349420996269139 .950579003730861 0 0 0
63.546 Cu .149701751867633 .249701751867633 .950402597413498 0 0 0
63.546 Cu .149899440322176 .349833638248122 .850204077627897 0 0 0
63.546 Cu .05 .450031647018716 .050005206480833 0 0 0
63.546 Cu .05 .550012303899956 .15 0 0 0
63.546 Cu .149994793519167 .450031647018716 .15 0 0 0
63.546 Cu .149997794634485 .550005573434766 .0500022053655148 0 0 0
63.546 Cu .05 .450031647018716 .249994793519167 0 0 0
63.546 Cu .05 .549985088201297 .349978976194942 0 0 0
63.546 Cu .149899440322176 .449795922372103 .349833638248122 0 0 0
63.546 Cu .149997794634485 .550005573434766 .249997794634485 0 0 0
63.546 Cu .05 .449775122347684 .449775122347684 0 0 0
63.546 Cu .05 .549921409077571 .549921409077571 0 0 0
63.546 Cu .149966123157674 .449921467703567 .549910452034418 0 0 0
63.546 Cu .149966123157674 .549910452034418 .449921467703566 0 0 0
63.546 Cu .0500000000000001 .449976745997649 .65 0 0 0
63.546 Cu .0500000000000001 .549921409077571 .750078590922429 0 0 0
63.546 Cu .149966123157674 .449921467703566 .750089547965582 0 0 0
63.546 Cu .149973475357726 .549958627953229 .65 0 0 0
63.546 Cu .05 .449775122347684 .850224877652316 0 0 0
63.546 Cu .05 .549985088201297 .950021023805058 0 0 0
63.546 Cu .149899440322176 .449795922372103 .950166361751878 0 0 0
63.546 Cu .149966123157674 .549910452034418 .850078532296433 0 0 0
63.546 Cu .05 .65 .0499982504890773 0 0 0
63.546 Cu .05 .749987696100044 .15 0 0 0
63.546 Cu .150001749510923 .65 .15 0 0 0
63.546 Cu .149997794634485 .749994426565235 .0500022053655148 0 0 0
63.546 Cu .05 .65 .250001749510923 0 0 0
63.546 Cu .0500000000000001 .750014911798703 .349978976194942 0 0 0
63.546 Cu .149998543630526 .65 .349994849898444 0 0 0
63.546 Cu .149997794634485 .749994426565235 .249997794634485 0 0 0
63.546 Cu .05 .65 .449976745997649 0 0 0
63.546 Cu .0500000000000001 .750078590922429 .549921409077571 0 0 0
63.546 Cu .149973475357726 .65 .549958627953229 0 0 0
63.546 Cu .149966123157674 .750089547965582 .449921467703566 0 0 0
63.546 Cu .05 .65 .65 0 0 0
63.546 Cu .05 .750078590922429 .750078590922429 0 0 0
63.546 Cu .149973475357726 .65 .750041372046771 0 0 0
63.546 Cu .149973475357726 .750041372046771 .65 0 0 0
63.546 Cu .05 .65 .850023254002351 0 0 0
63.546 Cu .0500000000000001 .750014911798703 .950021023805058 0 0 0
63.546 Cu .149998543630525 .65 .950005150101556 0 0 0
63.546 Cu .149966123157674 .750089547965582 .850078532296433 0 0 0
63.546 Cu .05 .849968352981284 .050005206480833 0 0 0
63.546 Cu .05 .949544922017643 .15 0 0 0
63.546 Cu .149994793519167 .849968352981284 .15 0 0 0
63.546 Cu .149701751867633 .950402597413498 .0502982481323671 0 0 0
63.546 Cu .05 .849968352981284 .249994793519167 0 0 0
63.546 Cu .05 .95057900373086 .349420996269139 0 0 0
63.546 Cu .149899440322176 .850204077627897 .349833638248122 0 0 0
63.546 Cu .149701751867633 .950402597413498 .249701751867633 0 0 0
63.546 Cu .0500000000000001 .850224877652316 .449775122347684 0 0 0
63.546 Cu .05 .950021023805058 .549985088201297 0 0 0
63.546 Cu .149966123157674 .850078532296433 .549910452034418 0 0 0
63.546 Cu .149899440322176 .950166361751878 .449795922372103 0 0 0
63.546 Cu .05 .850023254002351 .65 0 0 0
63.546 Cu .05 .950021023805058 .750014911798703 0 0 0
63.546 Cu .149966123157674 .850078532296433 .750089547965582 0 0 0
63.546 Cu .149998543630526 .950005150101556 .65 0 0 0
63.546 Cu .0500000000000001 .850224877652316 .850224877652316 0 0 0
63.546 Cu .05 .950579003730861 .95057900373086 0 0 0
63.546 Cu .149899440322176 .850204077627897 .950166361751878 0 0 0
63.546 Cu .149899440322176 .950166361751878 .850204077627897 0 0 0
63.546 Cu .249597402586502 .0502982481323671 .0502982481323671 0 0 0
63.546 Cu .250455077982357 .15 .15 0 0 0
63.546 Cu .350031647018716 .050005206480833 .15 0 0 0
63.546 Cu .350031647018716 .15 .050005206480833 0 0 0
63.546 Cu .249597402586502 .0502982481323671 .249701751867633 0 0 0
63.546 Cu .24942099626914 .15 .349420996269139 0 0 0
63.546 Cu .349795922372103 .0501005596778245 .349833638248122 0 0 0
63.546 Cu .350031647018716 .15 .249994793519167 0 0 0
63.546 Cu .249833638248122 .0501005596778245 .449795922372103 0 0 0
63.546 Cu .249978976194941 .15 .549985088201297 0 0 0
63.546 Cu .349921467703566 .0500338768423263 .549910452034418 0 0 0
63.546 Cu .349775122347684 .15 .449775122347684 0 0 0
63.546 Cu .249994849898445 .0500014563694745 .65 0 0 0
63.546 Cu .249978976194941 .15 .750014911798703 0 0 0
63.546 Cu .349921467703566 .0500338768423263 .750089547965582 0 0 0
63.546 Cu .349976745997649 .15 .65 0 0 0
63.546 Cu .249833638248122 .0501005596778245 .850204077627897 0 0 0
63.546 Cu .249420996269139 .15 .950579003730861 0 0 0
63.546 Cu .349795922372103 .0501005596778245 .950166361751878 0 0 0
63.546 Cu .349775122347684 .15 .850224877652316 0 0 0
63.546 Cu .249597402586502 .249701751867633 .0502982481323671 0 0 0
63.546 Cu .249420996269139 .349420996269139 .15 0 0 0
63.546 Cu .350031647018716 .249994793519167 .15 0 0 0
63.546 Cu .349795922372103 .349833638248122 .0501005596778245 0 0 0
63.546 Cu .249597402586502 .249701751867633 .249701751867633 0 0 0
63.546 Cu .249775134593262 .349775134593262 .349775134593262 0 0 0
63.546 Cu .349795922372103 .249899440322176 .349833638248122 0 0 0
63.546 Cu .349795922372103 .349833638248122 .249899440322176 0 0 0
63.546 Cu .249833638248122 .249899440322176 .449795922372103 0 0 0
63.546 Cu .24994114417095 .34994114417095 .549909741307528 0 0 0
63.546 Cu .349921467703566 .249966123157674 .549910452034418 0 0 0
63.546 Cu .349878685690756 .349910301437108 .449878685690756 0 0 0
63.546 Cu .249994849898445 .249998543630526 .65 0 0 0
63.546 Cu .24994114417095 .34994114417095 .750090258692472 0 0 0
63.546 Cu .349921467703566 .249966123157674 .750089547965582 0 0 0
63.546 Cu .349951863243386 .349959134394293 .65 0 0 0
63.546 Cu .249833638248122 .249899440322176 .850204077627897 0 0 0
63.546 Cu .249775134593262 .349775134593262 .950224865406739 0 0 0
63.546 Cu .349795922372103 .249899440322176 .950166361751878 0 0 0
63.546 Cu .349878685690756 .349910301437108 .850121314309244 0 0 0
63.546 Cu .249833638248122 .449795922372103 .0501005596778245 0 0 0
63.546 Cu .249978976194941 .549985088201297 .15 0 0 0
63.546 Cu .349775122347684 .449775122347684 .15 0 0 0
63.546 Cu .349921467703566 .549910452034418 .0500338768423263 0 0 0
63.546 Cu .249833638248122 .449795922372103 .249899440322176 0 0 0
63.546 Cu .24994114417095 .549909741307528 .34994114417095 0 0 0
63.546 Cu .349878685690756 .449878685690756 .349910301437108 0 0 0
63.546 Cu .349921467703567 .549910452034418 .249966123157674 0 0 0
63.546 Cu .249910301437108 .449878685690756 .449878685690756 0 0 0
63.546 Cu .249954474578967 .549952616013818 .549952616013818 0 0 0
63.546 Cu .349942525503392 .449942525503392 .54994736070281 0 0 0
63.546 Cu .349942525503392 .54994736070281 .449942525503392 0 0 0
63.546 Cu .249959134394293 .449951863243386 .65 0 0 0
63.546 Cu .249954474578967 .549952616013818 .750047383986182 0 0 0
63.546 Cu .349942525503392 .449942525503392 .75005263929719 0 0 0
63.546 Cu .349958589498795 .549969221769883 .65 0 0 0
63.546 Cu .249910301437108 .449878685690756 .850121314309244 0 0 0
63.546 Cu .24994114417095 .549909741307528 .95005885582905 0 0 0
63.546 Cu .349878685690756 .449878685690756 .950089698562892 0 0 0
63.546 Cu .349942525503392 .54994736070281 .850057474496608 0 0 0
63.546 Cu .249994849898444 .65 .0500014563694745 0 0 0
63.546 Cu .249978976194941 .750014911798703 .15 0 0 0
63.546 Cu .349976745997649 .65 .15 0 0 0
63.546 Cu .349921467703566 .750089547965582 .0500338768423263 0 0 0
63.546 Cu .249994849898444 .65 .249998543630526 0 0 0
63.546 Cu .24994114417095 .750090258692472 .34994114417095 0 0 0
63.546 Cu .349951863243386 .65 .349959134394293 0 0 0
63.546 Cu .349921467703566 .750089547965582 .249966123157674 0 0 0
63.546 Cu .249959134394293 .65 .449951863243386 0 0 0
63.546 Cu .249954474578967 .750047383986182 .549952616013818 0 0 0
63.546 Cu .349958589498795 .65 .549969221769883 0 0 0
63.546 Cu .349942525503392 .75005263929719 .449942525503392 0 0 0
63.546 Cu .249960325811412 .65 .65 0 0 0
63.546 Cu .249954474578967 .750047383986182 .750047383986182 0 0 0
63.546 Cu .349958589498795 .65 .750030778230117 0 0 0
63.546 Cu .349958589498795 .750030778230117 .65 0 0 0
63.546 Cu .249959134394293 .65 .850048136756614 0 0 0
63.546 Cu .24994114417095 .750090258692472 .95005885582905 0 0 0
63.546 Cu .349951863243387 .65 .950040865605707 0 0 0
63.546 Cu .349942525503392 .75005263929719 .850057474496608 0 0 0
63.546 Cu .249833638248122 .850204077627897 .0501005596778245 0 0 0
63.546 Cu .24942099626914 .950579003730861 .15 0 0 0
63.546 Cu .349775122347684 .850224877652316 .15 0 0 0
63.546 Cu .349795922372103 .950166361751878 .0501005596778245 0 0 0
63.546 Cu .249833638248122 .850204077627897 .249899440322175 0 0 0
63.546 Cu .249775134593262 .950224865406739 .349775134593262 0 0 0
63.546 Cu .349878685690756 .850121314309244 .349910301437108 0 0 0
63.546 Cu .349795922372103 .950166361751878 .249899440322175 0 0 0
63.546 Cu .249910301437108 .850121314309244 .449878685690756 0 0 0
63.546 Cu .24994114417095 .95005885582905 .549909741307528 0 0 0
63.546 Cu .349942525503392 .850057474496608 .54994736070281 0 0 0
63.546 Cu .349878685690756 .950089698562892 .449878685690756 0 0 0
63.546 Cu .249959134394293 .850048136756614 .65 0 0 0
63.546 Cu .24994114417095 .95005885582905 .750090258692472 0 0 0
63.546 Cu .349942525503392 .850057474496608 .75005263929719 0 0 0
63.546 Cu .349951863243386 .950040865605707 .65 0 0 0
63.546 Cu .249910301437108 .850121314309244 .850121314309244 0 0 0
63.546 Cu .249775134593262 .950224865406739 .950224865406738 0 0 0
63.546 Cu .349878685690756 .850121314309244 .950089698562892 0 0 0
63.546 Cu .349878685690756 .950089698562892 .850121314309244 0 0 0
63.546 Cu .450005573434766 .0500022053655148 .0500022053655148 0 0 0
63.546 Cu .450012303899956 .15 .15 0 0 0
63.546 Cu .55 .0499982504890773 .15 0 0 0
63.546 Cu .55 .15 .0499982504890773 0 0 0
63.546 Cu .450005573434766 .0500022053655148 .249997794634485 0 0 0
63.546 Cu .449985088201297 .15 .349978976194942 0 0 0
63.546 Cu .55 .0500014563694745 .349994849898444 0 0 0
63.546 Cu .55 .15 .250001749510923 0 0 0
63.546 Cu .449910452034418 .0500338768423263 .449921467703566 0 0 0
63.546 Cu .449921409077571 .15 .549921409077571 0 0 0
63.546 Cu .55 .0500265246422738 .549958627953229 0 0 0
63.546 Cu .55 .15 .449976745997649 0 0 0
63.546 Cu .449958627953229 .0500265246422738 .65 0 0 0
63.546 Cu .449921409077571 .15 .750078590922429 0 0 0
63.546 Cu .55 .0500265246422737 .750041372046771 0 0 0
63.546 Cu .55 .15 .65 0 0 0
63.546 Cu .449910452034418 .0500338768423263 .850078532296433 0 0 0
63.546 Cu .449985088201297 .15 .950021023805058 0 0 0
63.546 Cu .55 .0500014563694745 .950005150101556 0 0 0
63.546 Cu .55 .15 .850023254002351 0 0 0
63.546 Cu .450005573434766 .249997794634485 .0500022053655148 0 0 0
63.546 Cu .449985088201297 .349978976194942 .15 0 0 0
63.546 Cu .55 .250001749510923 .15 0 0 0
63.546 Cu .55 .349994849898444 .0500014563694745 0 0 0
63.546 Cu .450005573434766 .249997794634485 .249997794634485 0 0 0
63.546 Cu .449909741307528 .34994114417095 .34994114417095 0 0 0
63.546 Cu .55 .249998543630526 .349994849898444 0 0 0
63.546 Cu .55 .349994849898444 .249998543630526 0 0 0
63.546 Cu .449910452034418 .249966123157674 .449921467703567 0 0 0
63.546 Cu .449952616013818 .349954474578967 .549952616013818 0 0 0
63.546 Cu .55 .249973475357726 .549958627953229 0 0 0
63.546 Cu .55 .349959134394293 .449951863243386 0 0 0
63.546 Cu .449958627953229 .249973475357726 .65 0 0 0
63.546 Cu .449952616013818 .349954474578967 .750047383986182 0 0 0
63.546 Cu .55 .249973475357726 .750041372046771 0 0 0
63.546 Cu .55 .349960325811412 .65 0 0 0
63.546 Cu .449910452034418 .249966123157674 .850078532296433 0 0 0
63.546 Cu .449909741307528 .34994114417095 .95005885582905 0 0 0
63.546 Cu .55 .249998543630526 .950005150101556 0 0 0
63.546 Cu .55 .349959134394293 .850048136756614 0 0 0
63.546 Cu .449910452034418 .449921467703566 .0500338768423263 0 0 0
63.546 Cu .449921409077571 .549921409077571 .15 0 0 0
63.546 Cu .55 .449976745997649 .15 0 0 0
63.546 Cu .55 .549958627953229 .0500265246422738 0 0 0
63.546 Cu .449910452034418 .449921467703567 .249966123157674 0 0 0
63.546 Cu .449952616013818 .549952616013818 .349954474578967 0 0 0
63.546 Cu .55 .449951863243386 .349959134394293 0 0 0
63.546 Cu .55 .549958627953229 .249973475357726 0 0 0
63.546 Cu .44994736070281 .449942525503392 .449942525503392 0 0 0
63.546 Cu .449970869855145 .549970869855145 .549970869855145 0 0 0
63.546 Cu .55 .449958589498795 .549969221769883 0 0 0
63.546 Cu .55 .549969221769883 .449958589498795 0 0 0
63.546 Cu .449969221769883 .449958589498795 .65 0 0 0
63.546 Cu .449970869855145 .549970869855145 .750029130144855 0 0 0
63.546 Cu .55 .449958589498795 .750030778230117 0 0 0
63.546 Cu .55 .54997576307296 .65 0 0 0
63.546 Cu .44994736070281 .449942525503392 .850057474496608 0 0 0
63.546 Cu .449952616013818 .549952616013818 .950045525421033 0 0 0
63.546 Cu .55 .449951863243386 .950040865605707 0 0 0
63.546 Cu .55 .549969221769883 .850041410501205 0 0 0
63.546 Cu .449958627953229 .65 .0500265246422737 0 0 0
63.546 Cu .449921409077571 .750078590922429 .15 0 0 0
63.546 Cu .55 .65 .15 0 0 0
63.546 Cu .55 .750041372046771 .0500265246422738 0 0 0
63.546 Cu .449958627953229 .65 .249973475357726 0 0 0
63.546 Cu .449952616013818 .750047383986182 .349954474578967 0 0 0
63.546 Cu .55 .65 .349960325811412 0 0 0
63.546 Cu .55 .750041372046771 .249973475357726 0 0 0
63.546 Cu .449969221769883 .65 .449958589498795 0 0 0
63.546 Cu .449970869855145 .750029130144855 .549970869855145 0 0 0
63.546 Cu .55 .65 .54997576307296 0 0 0
63.546 Cu .55 .750030778230117 .449958589498795 0 0 0
63.546 Cu .44997576307296 .65 .65 0 0 0
63.546 Cu .449970869855145 .750029130144855 .750029130144855 0 0 0
63.546 Cu .55 .65 .75002423692704 0 0 0
63.546 Cu .55 .75002423692704 .65 0 0 0
63.546 Cu .449969221769883 .65 .850041410501205 0 0 0
63.546 Cu .449952616013818 .750047383986182 .950045525421033 0 0 0
63.546 Cu .55 .65 .950039674188588 0 0 0
63.546 Cu .55 .750030778230117 .850041410501205 0 0 0
63.546 Cu .449910452034418 .850078532296433 .0500338768423263 0 0 0
63.546 Cu .449985088201297 .950021023805058 .15 0 0 0
63.546 Cu .55 .850023254002351 .15 0 0 0
63.546 Cu .55 .950005150101556 .0500014563694745 0 0 0
63.546 Cu .449910452034418 .850078532296433 .249966123157674 0 0 0
63.546 Cu .449909741307528 .95005885582905 .34994114417095 0 0 0
63.546 Cu .55 .850048136756614 .349959134394293 0 0 0
63.546 Cu .55 .950005150101556 .249998543630526 0 0 0
63.546 Cu .44994736070281 .850057474496608 .449942525503392 0 0 0
63.546 Cu .449952616013818 .950045525421033 .549952616013818 0 0 0
63.546 Cu .55 .850041410501205 .549969221769883 0 0 0
63.546 Cu .55 .950040865605707 .449951863243386 0 0 0
63.546 Cu .449969221769883 .850041410501205 .65 0 0 0
63.546 Cu .449952616013818 .950045525421033 .750047383986182 0 0 0
63.546 Cu .55 .850041410501205 .750030778230117 0 0 0
63.546 Cu .55 .950039674188588 .65 0 0 0
63.546 Cu .44994736070281 .850057474496608 .850057474496608 0 0 0
63.546 Cu .449909741307528 .95005885582905 .95005885582905 0 0 0
63.546 Cu .55 .850048136756614 .950040865605707 0 0 0
63.546 Cu .55 .950040865605707 .850048136756614 0 0 0
63.546 Cu .649994426565234 .0500022053655148 .0500022053655148 0 0 0
63.546 Cu .649987696100044 .15 .15 0 0 0
63.546 Cu .749968352981285 .050005206480833 .15 0 0 0
63.546 Cu .749968352981285 .15 .050005206480833 0 0 0
63.546 Cu .649994426565235 .0500022053655148 .249997794634485 0 0 0
63.546 Cu .650014911798703 .15 .349978976194942 0 0 0
63.546 Cu .750204077627897 .0501005596778245 .349833638248122 0 0 0
63.546 Cu .749968352981285 .15 .249994793519167 0 0 0
63.546 Cu .650089547965582 .0500338768423263 .449921467703566 0 0 0
63.546 Cu .650078590922429 .15 .549921409077571 0 0 0
63.546 Cu .750078532296434 .0500338768423263 .549910452034418 0 0 0
63.546 Cu .750224877652316 .15 .449775122347684 0 0 0
63.546 Cu .650041372046771 .0500265246422738 .65 0 0 0
63.546 Cu .650078590922429 .15 .750078590922429 0 0 0
63.546 Cu .750078532296434 .0500338768423263 .750089547965582 0 0 0
63.546 Cu .750023254002351 .15 .65 0 0 0
63.546 Cu .650089547965582 .0500338768423263 .850078532296433 0 0 0
63.546 Cu .650014911798703 .15 .950021023805058 0 0 0
63.546 Cu .750204077627897 .0501005596778245 .950166361751878 0 0 0
63.546 Cu .750224877652316 .15 .850224877652316 0 0 0
63.546 Cu .649994426565235 .249997794634485 .0500022053655148 0 0 0
63.546 Cu .650014911798703 .349978976194942 .15 0 0 0
63.546 Cu .749968352981285 .249994793519167 .15 0 0 0
63.546 Cu .750204077627897 .349833638248122 .0501005596778245 0 0 0
63.546 Cu .649994426565234 .249997794634485 .249997794634485 0 0 0
63.546 Cu .650090258692472 .34994114417095 .34994114417095 0 0 0
63.546 Cu .750204077627897 .249899440322176 .349833638248122 0 0 0
63.546 Cu .750204077627897 .349833638248122 .249899440322176 0 0 0
63.546 Cu .650089547965582 .249966123157674 .449921467703567 0 0 0
63.546 Cu .650047383986182 .349954474578967 .549952616013818 0 0 0
63.546 Cu .750078532296434 .249966123157674 .549910452034418 0 0 0
63.546 Cu .750121314309244 .349910301437108 .449878685690756 0 0 0
63.546 Cu .650041372046771 .249973475357726 .65 0 0 0
63.546 Cu .650047383986182 .349954474578967 .750047383986182 0 0 0
63.546 Cu .750078532296434 .249966123157674 .750089547965582 0 0 0
63.546 Cu .750048136756614 .349959134394293 .65 0 0 0
63.546 Cu .650089547965582 .249966123157674 .850078532296433 0 0 0
63.546 Cu .650090258692472 .34994114417095 .95005885582905 0 0 0
63.546 Cu .750204077627897 .249899440322176 .950166361751878 0 0 0
63.546 Cu .750121314309244 .349910301437108 .850121314309244 0 0 0
63.546 Cu .650089547965582 .449921467703566 .0500338768423262 0 0 0
63.546 Cu .650078590922429 .549921409077571 .15 0 0 0
63.546 Cu .750224877652316 .449775122347684 .15 0 0 0
63.546 Cu .750078532296434 .549910452034418 .0500338768423263 0 0 0
63.546 Cu .650089547965582 .449921467703566 .249966123157674 0 0 0
63.546 Cu .650047383986182 .549952616013818 .349954474578967 0 0 0
63.546 Cu .750121314309244 .449878685690756 .349910301437108 0 0 0
63.546 Cu .750078532296433 .549910452034418 .249966123157674 0 0 0
63.546 Cu .65005263929719 .449942525503392 .449942525503392 0 0 0
63.546 Cu .650029130144855 .549970869855145 .549970869855145 0 0 0
63.546 Cu .750057474496608 .449942525503392 .54994736070281 0 0 0
63.546 Cu .750057474496608 .54994736070281 .449942525503392 0 0 0
63.546 Cu .650030778230117 .449958589498795 .65 0 0 0
63.546 Cu .650029130144855 .549970869855145 .750029130144855 0 0 0
63.546 Cu .750057474496608 .449942525503392 .75005263929719 0 0 0
63.546 Cu .750041410501205 .549969221769883 .65 0 0 0
63.546 Cu .65005263929719 .449942525503392 .850057474496608 0 0 0
63.546 Cu .650047383986182 .549952616013818 .950045525421033 0 0 0
63.546 Cu .750121314309244 .449878685690756 .950089698562892 0 0 0
63.546 Cu .750057474496608 .54994736070281 .850057474496608 0 0 0
63.546 Cu .650041372046771 .65 .0500265246422738 0 0 0
63.546 Cu .650078590922429 .750078590922429 .15 0 0 0
63.546 Cu .750023254002351 .65 .15 0 0 0
63.546 Cu .750078532296434 .750089547965582 .0500338768423263 0 0 0
63.546 Cu .650041372046771 .65 .249973475357726 0 0 0
63.546 Cu .650047383986182 .750047383986182 .349954474578967 0 0 0
63.546 Cu .750048136756614 .65 .349959134394293 0 0 0
63.546 Cu .750078532296434 .750089547965582 .249966123157674 0 0 0
63.546 Cu .650030778230117 .65 .449958589498795 0 0 0
63.546 Cu .650029130144855 .750029130144855 .549970869855145 0 0 0
63.546 Cu .750041410501205 .65 .549969221769883 0 0 0
63.546 Cu .750057474496608 .75005263929719 .449942525503392 0 0 0
63.546 Cu .65002423692704 .65 .65 0 0 0
63.546 Cu .650029130144855 .750029130144855 .750029130144855 0 0 0
63.546 Cu .750041410501205 .65 .750030778230117 0 0 0
63.546 Cu .750041410501205 .750030778230117 .65 0 0 0
63.546 Cu .650030778230117 .65 .850041410501205 0 0 0
63.546 Cu .650047383986182 .750047383986182 .950045525421033 0 0 0
63.546 Cu .750048136756614 .65 .950040865605707 0 0 0
63.546 Cu .750057474496608 .75005263929719 .850057474496608 0 0 0
63.546 Cu .650089547965582 .850078532296433 .0500338768423263 0 0 0
63.546 Cu .650014911798703 .950021023805058 .15 0 0 0
63.546 Cu .750224877652316 .850224877652316 .15 0 0 0
63.546 Cu .750204077627897 .950166361751878 .0501005596778245 0 0 0
63.546 Cu .650089547965582 .850078532296433 .249966123157674 0 0 0
63.546 Cu .650090258692472 .95005885582905 .34994114417095 0 0 0
63.546 Cu .750121314309244 .850121314309244 .349910301437108 0 0 0
63.546 Cu .750204077627897 .950166361751878 .249899440322176 0 0 0
63.546 Cu .65005263929719 .850057474496608 .449942525503392 0 0 0
63.546 Cu .650047383986182 .950045525421033 .549952616013818 0 0 0
63.546 Cu .750057474496608 .850057474496608 .54994736070281 0 0 0
63.546 Cu .750121314309244 .950089698562892 .449878685690756 0 0 0
63.546 Cu .650030778230117 .850041410501205 .65 0 0 0
63.546 Cu .650047383986182 .950045525421033 .750047383986182 0 0 0
63.546 Cu .750057474496608 .850057474496608 .75005263929719 0 0 0
63.546 Cu .750048136756614 .950040865605707 .65 0 0 0
63.546 Cu .65005263929719 .850057474496608 .850057474496608 0 0 0
63.546 Cu .650090258692472 .95005885582905 .95005885582905 0 0 0
63.546 Cu .750121314309244 .850121314309244 .950089698562892 0 0 0
63.546 Cu .750121314309244 .950089698562892 .850121314309244 0 0 0
63.546 Cu .850402597413498 .0502982481323671 .0502982481323671 0 0 0
63.546 Cu .849544922017643 .15 .15 0 0 0
63.546 Cu .951238845290448 .0512388452904484 .15 0 0 0
63.546 Cu .951238845290448 .15 .0512388452904484 0 0 0
63.546 Cu .850402597413498 .0502982481323671 .249701751867633 0 0 0
63.546 Cu .85057900373086 .15 .34942099626914 0 0 0
63.546 Cu .950298248132367 .0502982481323671 .349597402586502 0 0 0
63.546 Cu .951238845290448 .15 .248761154709552 0 0 0
63.546 Cu .850166361751878 .0501005596778245 .449795922372103 0 0 0
63.546 Cu .850021023805059 .15 .549985088201297 0 0 0
63.546 Cu .950002205365515 .0500022053655148 .550005573434766 0 0 0
63.546 Cu .950005206480833 .15 .450031647018716 0 0 0
63.546 Cu .850005150101555 .0500014563694745 .65 0 0 0
63.546 Cu .850021023805059 .15 .750014911798703 0 0 0
63.546 Cu .950002205365515 .0500022053655148 .749994426565235 0 0 0
63.546 Cu .949998250489077 .15 .65 0 0 0
63.546 Cu .850166361751878 .0501005596778245 .850204077627897 0 0 0
63.546 Cu .85057900373086 .15 .950579003730861 0 0 0
63.546 Cu .950298248132367 .0502982481323671 .950402597413498 0 0 0
63.546 Cu .950005206480833 .15 .849968352981284 0 0 0
63.546 Cu .850402597413498 .249701751867633 .0502982481323671 0 0 0
63.546 Cu .85057900373086 .34942099626914 .15 0 0 0
63.546 Cu .951238845290448 .248761154709552 .15 0 0 0
63.546 Cu .950298248132367 .349597402586502 .0502982481323671 0 0 0
63.546 Cu .850402597413498 .249701751867633 .249701751867633 0 0 0
63.546 Cu .850224865406738 .349775134593262 .349775134593262 0 0 0
63.546 Cu .950298248132367 .249701751867633 .349597402586502 0 0 0
63.546 Cu .950298248132367 .349597402586502 .249701751867633 0 0 0
63.546 Cu .850166361751878 .249899440322176 .449795922372103 0 0 0
63.546 Cu .85005885582905 .34994114417095 .549909741307528 0 0 0
63.546 Cu .950002205365515 .249997794634485 .550005573434766 0 0 0
63.546 Cu .950100559677825 .349833638248122 .449795922372103 0 0 0
63.546 Cu .850005150101556 .249998543630526 .65 0 0 0
63.546 Cu .85005885582905 .34994114417095 .750090258692472 0 0 0
63.546 Cu .950002205365515 .249997794634485 .749994426565234 0 0 0
63.546 Cu .950001456369475 .349994849898444 .65 0 0 0
63.546 Cu .850166361751878 .249899440322176 .850204077627897 0 0 0
63.546 Cu .850224865406739 .349775134593261 .950224865406739 0 0 0
63.546 Cu .950298248132367 .249701751867633 .950402597413498 0 0 0
63.546 Cu .950100559677825 .349833638248122 .850204077627897 0 0 0
63.546 Cu .850166361751878 .449795922372103 .0501005596778246 0 0 0
63.546 Cu .850021023805059 .549985088201297 .15 0 0 0
63.546 Cu .950005206480833 .450031647018716 .15 0 0 0
63.546 Cu .950002205365515 .550005573434766 .0500022053655148 0 0 0
63.546 Cu .850166361751878 .449795922372103 .249899440322176 0 0 0
63.546 Cu .85005885582905 .549909741307528 .34994114417095 0 0 0
63.546 Cu .950100559677825 .449795922372103 .349833638248122 0 0 0
63.546 Cu .950002205365515 .550005573434766 .249997794634485 0 0 0
63.546 Cu .850089698562892 .449878685690756 .449878685690756 0 0 0
63.546 Cu .850045525421034 .549952616013818 .549952616013818 0 0 0
63.546 Cu .950033876842326 .449921467703566 .549910452034418 0 0 0
63.546 Cu .950033876842326 .549910452034418 .449921467703566 0 0 0
63.546 Cu .850040865605707 .449951863243387 .65 0 0 0
63.546 Cu .850045525421034 .549952616013818 .750047383986182 0 0 0
63.546 Cu .950033876842326 .449921467703566 .750089547965582 0 0 0
63.546 Cu .950026524642274 .549958627953229 .65 0 0 0
63.546 Cu .850089698562892 .449878685690756 .850121314309244 0 0 0
63.546 Cu .85005885582905 .549909741307528 .95005885582905 0 0 0
63.546 Cu .950100559677825 .449795922372103 .950166361751878 0 0 0
63.546 Cu .950033876842326 .549910452034418 .850078532296433 0 0 0
63.546 Cu .850005150101556 .65 .0500014563694745 0 0 0
63.546 Cu .850021023805059 .750014911798703 .15 0 0 0
63.546 Cu .949998250489077 .65 .15 0 0 0
63.546 Cu .950002205365515 .749994426565235 .0500022053655148 0 0 0
63.546 Cu .850005150101556 .65 .249998543630526 0 0 0
63.546 Cu .85005885582905 .750090258692472 .34994114417095 0 0 0
63.546 Cu .950001456369475 .65 .349994849898444 0 0 0
63.546 Cu .950002205365515 .749994426565235 .249997794634485 0 0 0
63.546 Cu .850040865605707 .65 .449951863243386 0 0 0
63.546 Cu .850045525421034 .750047383986182 .549952616013818 0 0 0
63.546 Cu .950026524642274 .65 .549958627953229 0 0 0
63.546 Cu .950033876842326 .750089547965582 .449921467703566 0 0 0
63.546 Cu .850039674188588 .65 .65 0 0 0
63.546 Cu .850045525421034 .750047383986182 .750047383986182 0 0 0
63.546 Cu .950026524642274 .65 .750041372046771 0 0 0
63.546 Cu .950026524642274 .750041372046771 .65 0 0 0
63.546 Cu .850040865605707 .65 .850048136756614 0 0 0
63.546 Cu .85005885582905 .750090258692472 .95005885582905 0 0 0
63.546 Cu .950001456369474 .65 .950005150101556 0 0 0
63.546 Cu .950033876842326 .750089547965582 .850078532296433 0 0 0
63.546 Cu .850166361751878 .850204077627897 .0501005596778245 0 0 0
63.546 Cu .85057900373086 .95057900373086 .15 0 0 0
63.546 Cu .950005206480833 .849968352981284 .15 0 0 0
63.546 Cu .950298248132367 .950402597413498 .0502982481323671 0 0 0
63.546 Cu .850166361751878 .850204077627897 .249899440322176 0 0 0
63.546 Cu .850224865406739 .950224865406738 .349775134593262 0 0 0
63.546 Cu .950100559677824 .850204077627897 .349833638248122 0 0 0
63.546 Cu .950298248132367 .950402597413498 .249701751867633 0 0 0
63.546 Cu .850089698562892 .850121314309244 .449878685690756 0 0 0
63.546 Cu .85005885582905 .95005885582905 .549909741307528 0 0 0
63.546 Cu .950033876842326 .850078532296433 .549910452034418 0 0 0
63.546 Cu .950100559677825 .950166361751878 .449795922372103 0 0 0
63.546 Cu .850040865605707 .850048136756614 .65 0 0 0
63.546 Cu .85005885582905 .95005885582905 .750090258692472 0 0 0
63.546 Cu .950033876842326 .850078532296433 .750089547965582 0 0 0
63.546 Cu .950001456369475 .950005150101555 .65 0 0 0
63.546 Cu .850089698562892 .850121314309244 .850121314309244 0 0 0
63.546 Cu .850224865406738 .950224865406739 .950224865406739 0 0 0
63.546 Cu .950100559677824 .850204077627897 .950166361751878 0 0 0
63.546 Cu .950100559677825 .950166361751878 .850204077627897 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%
# ---------------------------------------------