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| 1 | +--- |
| 2 | +creator: LAMMPS |
| 3 | +timestep: 0 |
| 4 | +units: lj |
| 5 | +time: 0 |
| 6 | +natoms: 3 |
| 7 | +boundary: [ p, p, p, p, p, p, ] |
| 8 | +thermo: |
| 9 | + - keywords: [ Step, Temp, E_pair, E_mol, TotEng, Press, ] |
| 10 | + - data: [ 0, 0, -27093.472213010766, 0, 0, 0, ] |
| 11 | +box: |
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| 19 | + - [ 2 , 1 , 8.397981e-01 , 8.397981e-01 , 0.000000e+00 , -1.799591e+00 , 2.127197e+00 , 2.298572e+00 , 0 , 0 , 0, ] |
| 20 | + - [ 3 , 1 , 8.397981e-01 , 0.000000e+00 , 8.397981e-01 , -1.807682e+00 , -9.585130e-01 , 1.605884e+00 , 0 , 0 , 0, ] |
| 21 | +--- |
| 22 | +timestep: 100 |
| 23 | +units: lj |
| 24 | +time: 0.5 |
| 25 | +natoms: 3 |
| 26 | +boundary: [ p, p, p, p, p, p, ] |
| 27 | +thermo: |
| 28 | + - keywords: [ Step, Temp, E_pair, E_mol, TotEng, Press, ] |
| 29 | + - data: [ 0, 0, -27093.472213010766, 0, 0, 0, ] |
| 30 | +box: |
| 31 | + - [ 0, 16.795961913825074 ] |
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| 38 | + - [ 2 , 1 , 8.397981e-01 , 8.397981e-01 , 0.000000e+00 , -1.799591e+00 , 2.127197e+00 , 2.298572e+00 , 0 , 0 , 0, ] |
| 39 | + - [ 3 , 1 , 8.397981e-01 , 0.000000e+00 , 8.397981e-01 , -1.807682e+00 , -9.585130e-01 , 1.605884e+00 , 0 , 0 , 0, ] |
| 40 | +--- |
| 41 | +timestep: 200 |
| 42 | +units: lj |
| 43 | +time: 1.0 |
| 44 | +natoms: 3 |
| 45 | +boundary: [ p, p, p, p, p, p, ] |
| 46 | +thermo: |
| 47 | + - keywords: [ Step, Temp, E_pair, E_mol, TotEng, Press, ] |
| 48 | + - data: [ 0, 0, -27093.472213010766, 0, 0, 0, ] |
| 49 | +box: |
| 50 | + - [ 0, 16.795961913825074 ] |
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| 52 | + - [ 0, 16.795961913825074 ] |
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| 54 | +keywords: [ id, type, x, y, z, vx, vy, vz, ix, iy, iz, ] |
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| 56 | + - [ 1 , 1 , 0.000000e+00 , 0.000000e+00 , 0.000000e+00 , -1.841579e-01 , -9.710036e-01 , -2.934617e+00 , 0 , 0 , 0, ] |
| 57 | + - [ 2 , 1 , 8.397981e-01 , 8.397981e-01 , 0.000000e+00 , -1.799591e+00 , 2.127197e+00 , 2.298572e+00 , 0 , 0 , 0, ] |
| 58 | + - [ 3 , 1 , 8.397981e-01 , 0.000000e+00 , 8.397981e-01 , -1.807682e+00 , -9.585130e-01 , 1.605884e+00 , 0 , 0 , 0, ] |
| 59 | +--- |
| 60 | +timestep: 300 |
| 61 | +units: lj |
| 62 | +time: 1.5 |
| 63 | +natoms: 3 |
| 64 | +boundary: [ p, p, p, p, p, p, ] |
| 65 | +thermo: |
| 66 | + - keywords: [ Step, Temp, E_pair, E_mol, TotEng, Press, ] |
| 67 | + - data: [ 0, 0, -27093.472213010766, 0, 0, 0, ] |
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| 75 | + - [ 1 , 1 , 0.000000e+00 , 0.000000e+00 , 0.000000e+00 , -1.841579e-01 , -9.710036e-01 , -2.934617e+00 , 0 , 0 , 0, ] |
| 76 | + - [ 2 , 1 , 8.397981e-01 , 8.397981e-01 , 0.000000e+00 , -1.799591e+00 , 2.127197e+00 , 2.298572e+00 , 0 , 0 , 0, ] |
| 77 | + - [ 3 , 1 , 8.397981e-01 , 0.000000e+00 , 8.397981e-01 , -1.807682e+00 , -9.585130e-01 , 1.605884e+00 , 0 , 0 , 0, ] |
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