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lammps/tools/i-pi/examples/tutorial/tutorial-2/tutorial-1_RESTART
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<simulation verbosity='high'>
<step>5000</step>
<beads natoms='108' nbeads='4'>
<q shape='(4, 324)'>
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-5.11163366e-01, 6.42039600e-01, 2.76048507e-01, -7.37616832e-01, 1.22339395e+00,
-2.67566663e-01, -7.51730239e-02, 2.01868691e-01, 7.07868632e-01, -1.21711787e+00,
-1.85687375e+00, 1.05200890e+00, 1.47295756e+00, 2.54890967e-01, -1.24936980e+00,
-2.57051185e+00, 3.98733877e-01, -7.23513377e-01, 1.21540059e+00, 8.12283422e-01,
1.65554595e+00, -1.17091747e+00, 1.34992672e-01, -1.26490262e+00, 1.90743067e+00,
1.26996550e+00, 6.84984124e-01, -2.42826181e+00, 5.82274924e-01, -6.03997807e-02,
-2.34897259e-01, -2.82126477e+00, 6.99213914e-01, -6.24173822e-01, 9.13698195e-01,
2.30096444e+00, -7.69519522e-01, -2.05936269e+00, -5.04623275e-01, 9.51572220e-01,
-1.04990530e+00, 9.29427177e-01, -1.00119016e+00, 5.58533219e-01, -1.96190366e+00,
-2.19649662e+00, 2.76351981e-01, 1.00882502e+00, 1.77184378e+00, 1.52844587e+00,
-6.11090570e-01, 8.38972820e-01, -1.19408219e+00, 1.09833108e+00, 1.79335203e+00,
9.50652921e-01, 2.03016606e-01, -7.05328950e-01, 2.63976431e+00, 1.32128813e+00,
-3.26324584e-01, -6.03144462e-01, -1.15795682e+00, -2.84347500e-01, -2.70637624e+00,
8.99588322e-01, 1.16243638e+00, 6.23042073e-01, -1.05633172e+00, 7.74870856e-01,
1.11703946e+00, 7.31498949e-01, 4.88889866e-02, 5.18543386e-01, -1.15303239e-01,
-3.72740004e-01, 7.18707005e-01, -1.10160673e-02, -3.42219376e-01, -4.07108891e-01,
1.46297984e+00, 2.21343521e+00, 1.36672760e+00, -1.42677666e+00, -1.53701751e+00,
1.20834078e+00, 5.34986888e-01, -1.09136550e-01, 4.83101030e-01, 7.86715435e-01,
1.04015999e-01, 6.21976525e-01, -2.08139696e+00, 6.95530731e-01, 1.03483749e+00,
-1.35308249e+00, 4.56603819e-02, -2.25926466e-01, 2.43326854e-01, 6.16818669e-01,
6.94683652e-02, -2.33814385e-01, -2.22136024e+00, 1.86899901e+00, 1.10748320e+00,
1.16927626e+00, -2.45241826e+00, 1.27914126e+00, 1.60261128e+00, -1.94906569e+00,
1.97845616e+00, -4.46554806e-01, -8.02072809e-01, -1.96479219e+00, 3.59615459e-01,
-5.74916548e-01, -1.86520891e-01, 1.24436447e+00, -7.48666778e-01, -2.45964718e+00,
-2.48723344e-01, 1.49576775e+00, 1.18547459e-01, -1.24812482e+00, 1.65059802e+00,
-8.75251737e-01, -3.00917161e+00, -9.70460069e-01, -6.87370120e-01, -1.39008336e+00,
-4.98646683e-01, 1.53959956e+00, 1.34417230e+00, 7.25609309e-01, -7.97696169e-01,
-8.26531057e-01, -2.73695934e+00, 2.27172885e+00, 1.58063398e-01, -5.75734209e-01,
-1.20968554e+00, 8.79594164e-01, -1.97505063e-01, 6.07633769e-01, -5.23534759e-01,
5.39579521e-01, -1.43180248e+00, -1.31573180e+00, 2.06689061e-01, 8.44228287e-01,
1.01539177e-01, 8.50313924e-01, 1.13773193e+00, -6.09337003e-01, 1.22573408e+00,
1.60308325e+00, -3.58368736e+00, -1.44948284e+00, -1.41743392e+00, -5.61340107e-01,
-9.68290606e-01, -2.02739053e+00, 2.71090499e-01, 2.51806453e+00, -9.34553301e-02,
5.98489523e-01, 1.00383713e-01, 1.47096663e+00, -1.87702008e+00, -9.71287935e-01,
1.36813300e+00, -1.05133427e-01, -7.45511518e-01, 1.15482681e-02, 7.41538344e-01,
4.89211699e-01, 1.78611375e-01, -3.22591658e-01, -6.62753734e-01, -6.79941629e-01,
-1.56662518e+00, -1.30972025e+00, -9.95839674e-01, 5.78534201e-01, -3.55251735e-01,
-4.20144708e-02, 2.11099051e-01, -1.37500178e+00, 3.05860052e-01, 2.39801447e+00,
1.06806434e-01, -4.31891309e-02, -5.92778723e-01, -2.33810000e-01, 2.73379933e-01,
-8.91777478e-01, -5.54188105e-01, -7.29232486e-01, -2.61636425e-02, -2.56123061e+00,
-1.82546639e+00 ]
</p>
<m shape='(108)'>
[ 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03, 3.67494322e+03,
3.67494322e+03, 3.67494322e+03, 3.67494322e+03 ]
</m>
<names shape='(108)'>
[ H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2, H2, H2,
H2, H2, H2 ]
</names>
</beads>
<total_steps>5000</total_steps>
<cell shape='(3, 3)'>
[ 3.37259417e+01, 2.06511833e-15, 2.06511833e-15, 0.00000000e+00, 3.37259417e+01,
2.06511833e-15, 0.00000000e+00, 0.00000000e+00, 3.37259417e+01 ]
</cell>
<forces>
<socket>
<port>31415</port>
</socket>
</forces>
<output prefix=''>
<properties shape='(6)' filename='tut1.md'>
[ step, time{picosecond}, conserved{kelvin}, temperature{kelvin}, potential{kelvin},
kinetic_cv{kelvin} ]
</properties>
<properties stride='20' shape='(1)' filename='tut1.force'> [ atom_f{piconewton}(atom=0;bead=0) ] </properties>
<trajectory format='pdb' filename='tut1.pos' stride='100' cell_units='angstrom'>positions{angstrom}</trajectory>
<checkpoint stride='1000' filename='tut1.checkpoint'>6</checkpoint>
</output>
<prng>
<state shape='(624)'>
[ 2687888409, 4059721984, 529212847, 1944050140, 549951740,
753730274, 4256902940, 3644633819, 1619935418, 2926854959,
3845596702, 3377185214, 672656208, 1522275289, 2252162595,
3840064745, 4027492069, 3675681571, 2579879846, 1816332499,
4032401752, 1911816378, 303445975, 1468438718, 4013747657,
1340600813, 2333908485, 2694837801, 4170600699, 2510847348,
3039951471, 3744192067, 1926386446, 1272375545, 1414207521,
66179398, 4083890893, 4151044133, 576437212, 1676792606,
434309634, 1907904212, 552501071, 2721977900, 1774218030,
2379944892, 895572049, 964207007, 855123501, 322370220,
2071560835, 311075834, 2622627631, 3049706185, 2343013325,
68709345, 1862864050, 3480897554, 1688711674, 3849088037,
2335410691, 2553458415, 3853338058, 2210199727, 2794071459,
2398176951, 3934057850, 1698758425, 1011318686, 1806201471,
1034736815, 3855360847, 835665231, 2475925733, 233924796,
3024757758, 2198530484, 3673044703, 1249768122, 3962863565,
3357863236, 2995035040, 307264231, 726406611, 2449569067,
2105792248, 2511154863, 1776943467, 1288186977, 1069459630,
4142069906, 2662399901, 2976669074, 3587203732, 2374529826,
1425481845, 228954896, 829104572, 3792121363, 2155121068,
4012537920, 4004560763, 1828234324, 523136808, 212778594,
2400962328, 2941249333, 941934455, 1185399473, 1989697055,
3876270640, 2356595322, 2240658826, 1455744954, 1294764103,
197281598, 3596260716, 1784450322, 4229237399, 2625160461,
3437563840, 99534139, 4231199313, 4186457231, 1356327267,
11955050, 694326214, 3281619587, 1501920361, 4047724237,
254407815, 1209336385, 2469757968, 3247917043, 467877924,
714928015, 1424369871, 2112691093, 961450464, 1302826015,
1508195287, 2682046824, 1166405749, 130758490, 669915191,
3325468865, 2863429703, 99481154, 2455859519, 3512819878,
2058734245, 713709489, 92681358, 1270820689, 2875258344,
4089059727, 2319856617, 3246994482, 2375401460, 3526989769,
2037481502, 1523778672, 4277357577, 3378312673, 1761280988,
385602812, 2806072191, 263793228, 3893867788, 1122562696,
3292179677, 196613098, 1412940405, 437753556, 2089537898,
3093827021, 2543771523, 2707596589, 4247024898, 423016972,
1950202748, 619404510, 1524092033, 2603783903, 1668886628,
1610491330, 203643004, 378998824, 3077420296, 1135622483,
1741156718, 4043803158, 134627695, 3826076900, 2236198903,
1299249975, 1841801847, 1664600294, 3214378313, 4189671272,
3480243241, 2314880827, 726164864, 1258895459, 1021877225,
57278710, 2540601428, 2729779922, 1740214549, 1640865107,
1355185385, 2109593488, 2195506700, 672372257, 2178115007,
1875949822, 1689867492, 385658740, 2445406785, 271863064,
988127097, 1025468932, 2359419817, 30505704, 3740615491,
302654725, 68322970, 3937476624, 1133164597, 2115798914,
320399345, 783710429, 2653212426, 3534685928, 1799928422,
3374564924, 140092188, 2838741355, 118331603, 3274090979,
2536288199, 424964681, 2624886533, 930882804, 2205394448,
2184146172, 676812400, 3846276446, 3664199786, 1428020191,
174713762, 1742043028, 1988587715, 250315220, 3460710952,
518855886, 3301263820, 3376830340, 1924596217, 3991359611,
4018324691, 2736101407, 3348220756, 4134954748, 1014806456,
811815211, 2969949177, 1648717003, 1095340695, 3941199066,
1442177871, 2118024477, 3440070762, 2652513624, 2449760687,
3263443330, 2902806218, 3234417117, 1849567332, 947381041,
3667048364, 951549915, 3479164436, 3858250612, 331400252,
2281345388, 2762215954, 3082365401, 683228175, 3454398927,
970279118, 2070406438, 3049304524, 1693733059, 175159517,
1769171565, 2762326718, 2494712358, 1596534753, 696283870,
2018059673, 92137961, 494184422, 392011733, 1385029818,
934252405, 333359117, 3764822796, 1330799844, 1968964095,
1099463842, 3602247127, 2198538609, 99239880, 3666952197,
1538751175, 687515492, 1759850188, 1784319556, 219306934,
3607066683, 3549791334, 1244006176, 3168276190, 2506130029,
934365798, 4125460139, 2267772610, 4123099235, 3145641762,
2282867996, 947174487, 2735752579, 1153570283, 1214198797,
3843855592, 226542409, 1556151146, 2140750114, 173612017,
3793649149, 513160329, 1696259753, 2196908248, 4236321655,
3978054768, 3076169778, 1237756707, 794294503, 2478806329,
3270485108, 21511829, 3648378180, 2173244083, 390728983,
1613278496, 245589104, 1871555825, 840092166, 2005126608,
2086709055, 346538249, 755528088, 4150217063, 1800593080,
2996189003, 223378615, 26641502, 1408725657, 1055486622,
2783260926, 2418422845, 1425876347, 2681749907, 689577833,
2439224882, 1119191698, 3284738598, 3248369824, 2184806341,
3827067703, 1403375638, 2039560728, 2026930258, 1439858255,
3646642925, 357706083, 801162144, 200302113, 843383109,
3953988752, 803642989, 133507707, 1890262095, 2010928680,
153102298, 62155903, 277159866, 3184049271, 3470490419,
1263803797, 1744789719, 291191777, 2104793752, 3710673355,
690715888, 3985842110, 2609560703, 850539005, 86744360,
1737104979, 1863808169, 1774594416, 295814460, 349948339,
2998856642, 2965669633, 1901828086, 3978738887, 1547972061,
3099911135, 2005717380, 567557764, 4005749125, 2160875982,
3708061218, 71131479, 4020136758, 2494015768, 1649237263,
3904477723, 398737933, 1060721700, 1863476301, 370356512,
3071414126, 2579819024, 1413367122, 2902740002, 111597792,
3291486874, 2640531015, 3168695648, 2512654909, 3959449531,
2099836667, 1724339088, 1513859793, 1867797563, 72940112,
150365030, 2695841664, 1822792143, 1313669546, 2967322181,
520611643, 353667991, 2717535171, 3765848346, 388428102,
1356267895, 3512676772, 370279636, 3846898162, 230096495,
1637173159, 611261822, 1005164736, 269482378, 3515088803,
3384787851, 219854487, 3527128574, 1621986556, 2351564858,
1464556636, 3969432414, 4241153635, 3481875215, 2028710485,
2552303669, 398357876, 502240174, 2783848798, 3029135000,
3389310739, 2505116094, 142532114, 3164584552, 2476051612,
3402430270, 3909441351, 3427500434, 334653597, 3680534388,
994471388, 3554495285, 1194116172, 2229772907, 1080120321,
764714490, 2033099135, 14870392, 1699063853, 4063486208,
1292743360, 2032090912, 72238972, 161094465, 1452285444,
2672671278, 1692937611, 1323803845, 3240748400, 4018998180,
747254077, 236045767, 3239449578, 983232024, 3337514013,
1251769771, 3333700522, 410670915, 987407435, 2475716801,
2872258033, 4098868775, 1252507952, 3804640001, 1349395704,
3776831082, 2921973556, 4089719272, 2209056770, 4132418611,
1349045766, 1096167788, 946557058, 2742739413, 675697683,
981116951, 3762459934, 735892043, 2820765771, 3285067216,
2160644040, 3791763118, 3326789900, 4049571064, 2680776632,
3569204094, 65929649, 3389067210, 3597945585, 1844146738,
2700511765, 329482853, 1760204187, 923334769, 4064120545,
3501525441, 185277522, 1241941790, 3591317416, 417403194,
1300287444, 568015210, 1937417620, 1293297106, 1132926831,
2866724791, 3257502829, 2947848120, 3895316838, 522557077,
3227142004, 3090084150, 1099385887, 281296826, 1305525858,
4048212751, 1083053479, 1851665893, 2417839863, 1623516667,
3571192609, 3711731288, 2688150423, 1385750380, 3001410324,
3992036671, 438613795, 1675062808, 126103207, 3806023665,
3378609204, 3872710810, 3254661971, 3271656093, 2954958773,
2955771203, 943499290, 1783244758, 27256593, 2736330207,
2854314347, 1414980118, 3499653814, 2716003330, 1906739972,
2097871403, 833490830, 860249641, 1359898654, 681385897,
768010275, 1337229341, 2176361026, 1243749829, 2535464086,
3587794549, 257320265, 1799338138, 2326145708 ]
</state>
<seed>12345</seed>
<set_pos>432</set_pos>
<gauss> -8.30560467e-01</gauss>
</prng>
<ensemble mode='nvt'>
<thermostat mode='pile_g'>
<tau> 1.03353433e+03</tau>
<ethermo> 2.24648494e-02</ethermo>
</thermostat>
<timestep> 4.13413730e+01</timestep>
<temperature> 7.91703800e-05</temperature>
</ensemble>
</simulation>
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