32
Lattice="5.704064583127662 0.0 0.0 0.0 5.704064583127662 0.0 0.0 0.0 5.704064583127662" Properties=species:S:1:pos:R:3:forces:R:3 energy=8389.94228532268 stress="-183.55100662271684 0.5279225736526864 -2.1042479007883466 0.5279225736526864 -184.0689498010898 -1.891828614146698 -2.1042479007883466 -1.891828614146698 -182.92250369415393" free_energy=8389.94228532268 pbc="F F F"
Kr       0.04276152       0.01896110       0.01402418    -616.32202581    -703.14725985    -607.77804800
Kr       1.39701389       1.46304690       0.04556979     562.61519224    -514.22813017   -1561.23040288
Kr       1.39047437       0.01388994       1.52814774     421.00479923   -1230.63506898    -548.19387960
Kr       0.05685924       1.45724318       1.40565759   -1814.01850433    -482.45422793     548.30930983
Kr       2.76647041       0.01726075       0.00684568      53.40879574    -872.86905800    -633.04526995
Kr       4.25005755       1.36938676       0.00018916     762.86478009     329.58195323    -924.91803321
Kr       4.32814057       0.02762780       1.42822191     648.80260662   -1074.61908914     -58.45565758
Kr       2.87661470       1.46542032       1.45423729    -168.74587527    -268.63574326    -359.51508546
Kr       0.04351943       2.82381357       0.04741638   -1309.02640665     525.74673338   -1385.27310866
Kr       1.47594011       4.30339831       0.02972319    -451.38339826    1008.37345520   -1113.98200395
Kr       1.38850721       2.80731859       1.41862439     518.68297213     748.43299980     648.40180765
Kr       0.03484286       4.27762688       1.41602153    -868.30975742     840.10968794     222.04003384
Kr       2.79034874       2.88140349       0.03729119     575.94259868    -344.53514347   -1319.20548033
Kr       4.30661721       4.23902586       0.00669875     495.25710527     520.28819402    -517.46002658
Kr       4.30600090       2.86325497       1.47953139    1009.69127643     -23.43290725    -239.90589245
Kr       2.80294525       4.25637852       1.41626928     457.16757780    1164.90330348     445.91574260
Kr       0.03791293       0.05182529       2.87207456   -1328.48463059    -963.59180344       6.92424821
Kr       1.48794718       1.44815038       2.87328119    -366.48020682     -58.35756638    -134.18339171
Kr       1.42451641       0.01138120       4.25449244      51.75660651   -1010.65208419    1135.52676712
Kr       0.03983452       1.43901293       4.24562338   -1097.20534251    -236.39178023    1328.46367942
Kr       2.84040799       0.03693148       2.88607092     238.52376638   -1484.94157488    -200.76115543
Kr       4.24749141       1.39140621       2.82499496    1379.59318065     309.15409277     276.63420647
Kr       4.29970684       0.04032915       4.26552002     592.15327209    -620.76674131     683.42297400
Kr       2.83272070       1.44882108       4.28366938       6.73504830    -219.89913951    1468.56977321
Kr       0.03848511       2.79501400       2.89856972   -1399.61284904     568.85861786    -526.08007751
Kr       1.45515482       4.30710900       2.89722499    -388.37666724    1089.69927022    -306.43058878
Kr       1.38226465       2.86182640       4.27563768     386.49326970     -36.89744305    1493.85732682
Kr       0.00856815       4.24080370       4.32955041    -716.28020642     705.65184223     526.49450695
Kr       2.82252601       2.84555361       2.88990487     273.76852283     266.10547312    -469.07182929
Kr       4.31357375       4.29780549       2.85399866     653.56632683     772.05490426      82.54109634
Kr       4.22448022       2.79795473       4.28002887    1198.07818898     179.45777506     860.87697503
Kr       2.83706819       4.22142425       4.25839679     238.13998387    1117.63645845    1177.51148386