Number of particles = 637
# (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) = 22.3789363290979 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) = 23.2569363290979 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) = 40.3309363290979 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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1.00794  H .620068262427034 .251643986195492 .556631464773411 0 0 0
1.00794  H .645717381382418 .313732989646619 .535109524570556 0 0 0
1.00794  H .639908347472662 .314678943992827 .579095609731691 0 0 0
30.973762  P .296147594643793 .170936881293992 .509669996174094 0 0 0
15.9994  O .239219062328185 .140279360891878 .504215126537426 0 0 0
15.9994  O .34793736619308 .150168883602237 .490082055206058 0 0 0
15.9994  O .287344674026702 .238099639874782 .50347128067788 0 0 0
15.9994  O .146810738286836 .338628788121829 .464295398741807 0 0 0
12.011  C .276486249103081 .368727335501184 .469750268378476 0 0 0
1.00794  H .259461311259873 .408801401440554 .459386016068806 0 0 0
12.011  C .249407214108372 .316957834008693 .452145916369228 0 0 0
1.00794  H .235688957106102 .326976350493535 .426855157144675 0 0 0
1.00794  H .280239778706308 .280753581303811 .45093096813197 0 0 0
12.011  C .195874732386159 .303327491838328 .473965394915901 0 0 0
1.00794  H .182871433403552 .25826566661895 .472254549438946 0 0 0
12.011  C .218485279757979 .317946786279729 .5086782016947 0 0 0
1.00794  H .179520067686385 .329384234283884 .523480734299659 0 0 0
12.011  C .251641457919817 .270864058593452 .526778450943645 0 0 0
1.00794  H .28055257283991 .290084130991411 .545498571742211 0 0 0
1.00794  H .219468347035014 .242657419906513 .538903138454239 0 0 0
15.9994  O .259282571754957 .366276453786008 .50347128067788 0 0 0
14.00674  N .522699917124277 .383389627867412 .464791295981504 0 0 0
1.00794  H .549153363851781 .347314368937014 .466626115768384 0 0 0
1.00794  H .542003783655159 .423248704182644 .461989476577216 0 0 0
12.011  C .463805250254597 .378444866512233 .466031039080747 0 0 0
14.00674  N .430827811597675 .426301556845407 .463551552882262 0 0 0
12.011  C .370324489183755 .423850675130231 .464791295981504 0 0 0
15.9994  O .33864291193747 .467278579206158 .462559758402867 0 0 0
14.00674  N .342932660055444 .37044725249429 .468510525279233 0 0 0
12.011  C .375999468464824 .321687605739734 .470990011477718 0 0 0
1.00794  H .353388921093004 .280538591679673 .474039779501856 0 0 0
12.011  C .436726215259889 .323149535183874 .469750268378476 0 0 0
1.00794  H .463403086368537 .28406442151554 .4715107035794 0 0 0
30.973762  P .134075548561601 .349077283854948 .42586336266528 0 0 0
15.9994  O .0693271629059364 .356472926925303 .420408493028612 0 0 0
15.9994  O .163254772739068 .302983508439706 .406275421697244 0 0 0
15.9994  O .167991369619331 .408414420117105 .419664647169066 0 0 0
15.9994  O .115710064431527 .569226658972517 .380488765232994 0 0 0
12.011  C .23899563794704 .520209024668996 .385943634869662 0 0 0
1.00794  H .249675323365746 .562260995150438 .375579382559992 0 0 0
12.011  C .185463156224827 .493679305050335 .368339282860414 0 0 0
1.00794  H .18050313496342 .509502541386911 .343048523635861 0 0 0
1.00794  H .188322988303477 .44694056076268 .367124334623156 0 0 0
12.011  C .133807439304228 .512899377448295 .390158761407088 0 0 0
1.00794  H .0957806096334406 .483789782339976 .388447915930133 0 0 0
12.011  C .161065213803852 .511953423102087 .424871568185886 0 0 0
1.00794  H .13653321675419 .543255912376616 .439674100790845 0 0 0
12.011  C .159099079249781 .455110166479933 .442971817434831 0 0 0
1.00794  H .19422139196569 .454293205908208 .461691938233397 0 0 0
1.00794  H .115844119060213 .450466390598547 .455096504945426 0 0 0
15.9994  O .223579355648072 .527948651137973 .419664647169066 0 0 0
15.9994  O .445350396372065 .390742273012941 .380984662472691 0 0 0
12.011  C .397850372940752 .417787967729533 .382224405571934 0 0 0
14.00674  N .397314154426006 .476824118517896 .379992867993297 0 0 0
1.00794  H .438111446422984 .496732157713099 .377315022898932 0 0 0
12.011  C .347713941811935 .512039418951742 .380984662472691 0 0 0
15.9994  O .351601526043849 .564152903842854 .378753124894054 0 0 0
14.00674  N .293779296203662 .484047769888942 .384703891770419 0 0 0
12.011  C .290025766600435 .425269606649544 .387183377968905 0 0 0
1.00794  H .246458012277265 .405017584055721 .390208351131057 0 0 0
12.011  C .33944723970959 .392247200381908 .385943634869662 0 0 0
12.011  C .337927953917808 .327965302764571 .388671069687996 0 0 0
1.00794  H .291634422144675 .31334600832317 .389018197755784 0 0 0
1.00794  H .360940665175687 .309089213765233 .367496257552929 0 0 0
1.00794  H .360046967651109 .314721941917655 .411482342714064 0 0 0
30.973762  P .111777795323384 .584834905684954 .342056729156467 0 0 0
15.9994  O .0639202928822404 .627488847113983 .336601859519798 0 0 0
15.9994  O .107219937948037 .531087499650391 .322468788188431 0 0 0
15.9994  O .175453743949556 .613686513244307 .335858013660253 0 0 0
15.9994  O .2313545241119 .7733808060542 .29668213172418 0 0 0
12.011  C .301196985657658 .663994085292658 .302137001360849 0 0 0
1.00794  H .335514970601448 .691942736430631 .291772749051179 0 0 0
12.011  C .241676730520774 .672765661957499 .284532649351601 0 0 0
1.00794  H .247307024925614 .688416906594763 .259241890127048 0 0 0
1.00794  H .215402023298185 .633336564890543 .283317701114343 0 0 0
12.011  C .211648493694958 .71756949962791 .306352127898274 0 0 0
1.00794  H .163076033234152 .715548597161011 .304641282421319 0 0 0
12.011  C .233097234284827 .701359281967886 .341064934677073 0 0 0
1.00794  H .232337591388935 .740573389410703 .355867467282032 0 0 0
12.011  C .196768429910737 .656469448447819 .359165183926017 0 0 0
1.00794  H .224741162430024 .636002436229858 .377885304724584 0 0 0
1.00794  H .158965024621094 .677194448214747 .371289871436612 0 0 0
15.9994  O .29346650207006 .67895736313268 .335858013660253 0 0 0
15.9994  O .389047452323661 .442511774505432 .297178028963877 0 0 0
12.011  C .367151862971503 .491271421259987 .29841777206312 0 0 0
14.00674  N .40276570932593 .539300103292472 .296186234484483 0 0 0
1.00794  H .447942119193341 .532377437395221 .293508389390119 0 0 0
12.011  C .384132115938482 .59588537236566 .297178028963877 0 0 0
15.9994  O .419165058901934 .635830444530547 .29494649138524 0 0 0
14.00674  N .323405369143418 .603710994684292 .300897258261606 0 0 0
12.011  C .284484841948053 .558305186066294 .303376744460091 0 0 0
1.00794  H .236850763888053 .566560787633203 .306401717622244 0 0 0
12.011  C .304324926993681 .503611825685523 .302137001360849 0 0 0
12.011  C .263795744254076 .452487293065446 .304864436179183 0 0 0
1.00794  H .217412842728485 .466848599957882 .305211564246971 0 0 0
1.00794  H .27085595469824 .424194658528853 .283689624044116 0 0 0
1.00794  H .273581732148203 .429225415733688 .32767570920525 0 0 0
30.973762  P .237744461412631 .78821509011974 .258250095647653 0 0 0
15.9994  O .225053956563626 .849788118472935 .252795226010985 0 0 0
15.9994  O .201236917533626 .747281065683817 .238662154679617 0 0 0
15.9994  O .306871964938728 .775530702295583 .252051380151439 0 0 0
15.9994  O .449684829366267 .873092993729521 .212875498215367 0 0 0
12.011  C .439317938081164 .745088171517606 .218330367852035 0 0 0
1.00794  H .484181553814972 .74831301587968 .207966115542365 0 0 0
12.011  C .396554511530114 .785893202179047 .200726015842787 0 0 0
1.00794  H .410674932418444 .79535274564113 .175435256618234 0 0 0
1.00794  H .351244047034018 .768866023947297 .199511067605529 0 0 0
12.011  C .399593083113679 .839124633115678 .222545494389461 0 0 0
1.00794  H .359063900374074 .864923388012268 .220834648912506 0 0 0
12.011  C .407055457443904 .813884851241847 .257258301168259 0 0 0
1.00794  H .430425647711615 .846004301088102 .272060833773218 0 0 0
12.011  C .350260979756982 .798061614905272 .275358550417204 0 0 0
1.00794  H .360359761784712 .765727175434879 .29407867121577 0 0 0
1.00794  H .332342344389196 .836243772152225 .287483237927799 0 0 0
15.9994  O .442222455036042 .761599374651424 .252051380151439 0 0 0
14.00674  N .602730530450223 .583544967940124 .204197296520667 0 0 0
1.00794  H .629318031806414 .619706222720178 .204023732486773 0 0 0
1.00794  H .62181097259996 .543427904075927 .201891374356075 0 0 0
15.9994  O .424884723059232 .48645565367929 .209900114777184 0 0 0
12.011  C .448925186470376 .534054356463499 .210396012016881 0 0 0
12.011  C .422471739742872 .588919708543581 .213619344074912 0 0 0
14.00674  N .362504635843699 .60448495733119 .217090624752792 0 0 0
12.011  C .363889867006794 .660597249231274 .219074213711581 0 0 0
1.00794  H .323807533029478 .686739987526485 .222024802287779 0 0 0
14.00674  N .420505605188801 .683816128638205 .217090624752792 0 0 0
12.011  C .458264325602215 .63742136774917 .213619344074912 0 0 0
14.00674  N .518678278263677 .640302228712623 .21064396063673 0 0 0
12.011  C .543523069446941 .588618723069787 .207420628578698 0 0 0
14.00674  N .511394643438368 .538010165547643 .207420628578698 0 0 0
1.00794  H .534988258087223 .500214989624138 .205065116690137 0 0 0
30.973762  P .463894620007055 .881520586995741 .17444346213884 0 0 0
15.9994  O .491241764259137 .938492837392377 .168988592502171 0 0 0
15.9994  O .409334386131578 .869051188795722 .154855521170803 0 0 0
15.9994  O .512064916581801 .832158969293598 .168244746642626 0 0 0
15.9994  O .68718494652283 .830310058526009 .129068864706553 0 0 0
12.011  C .600630341267465 .732618773317588 .134523734343222 0 0 0
1.00794  H .638880595319397 .709829873158933 .124159482033552 0 0 0
12.011  C .590933723125796 .789806013338363 .116919382333974 0 0 0
1.00794  H .608137400473919 .789462029939742 .0916286231094205 0 0 0
1.00794  H .543880548456772 .801630442665967 .115704434096716 0 0 0
12.011  C .625921981213018 .831127019097735 .138738860880647 0 0 0
1.00794  H .60889704336981 .87494190449711 .137028015403692 0 0 0
12.011  C .616538157204951 .806489208171491 .173451667659446 0 0 0
1.00794  H .655056520514256 .819302589770131 .188254200264405 0 0 0
12.011  C .560950171176209 .825838274343934 .19155191690839 0 0 0
1.00794  H .549332103356697 .793933814121817 .210272037706957 0 0 0
1.00794  H .569753091793301 .866858294629512 .203676604418985 0 0 0
15.9994  O .613052736859097 .744314208870709 .168244746642626 0 0 0
15.9994  O .408887537369289 .583759957564263 .12956476194625 0 0 0
12.011  C .450310417633472 .618889262148453 .130804505045493 0 0 0
14.00674  N .508802920617092 .601131119194633 .128572967466856 0 0 0
1.00794  H .515907815937486 .557617219269051 .125895122372492 0 0 0
12.011  C .558984036622138 .635658452831237 .12956476194625 0 0 0
15.9994  O .609254522379642 .615965403260173 .127333224367613 0 0 0
14.00674  N .547946872193601 .693662653423737 .133283991243979 0 0 0
12.011  C .491018339877993 .715247611687217 .135763477442464 0 0 0
1.00794  H .484494347948574 .761384385027286 .138788450604617 0 0 0
12.011  C .44311615256062 .680204302952682 .134523734343222 0 0 0
12.011  C .380065792201653 .701488275742369 .137251169161556 0 0 0
1.00794  H .379931737572966 .748356013804508 .137598297229344 0 0 0
1.00794  H .354282618617582 .686267010353381 .116076357026489 0 0 0
1.00794  H .360091652527338 .685321056007173 .160062442187623 0 0 0

# Analysis of this configuration:
# 
# supercell volume = 20990.8608338554 = 20990.8608338554 A^3
# avg. atomic volume = 32.9526857674339 = 32.9526857674339 A^3
# atomic number density = 0.0303465400986607 = 0.0303465400986607 A^-3
# avg. mass density = 0.487055402767301 g/cm^3
# 
# 637 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.
#   P     30.974       20     3.14%    10.06%
#   O     15.999      120    18.84%    31.18%
#   C     12.011      197    30.93%    38.43%
#   H      1.008      227    35.64%     3.72%
#   N     14.007       73    11.46%    16.61%
# ---------------------------------------------