mirror of https://github.com/phonopy/phonopy.git
70 lines
4.7 KiB
Plaintext
70 lines
4.7 KiB
Plaintext
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ATOMIC FORCES in [a.u.]
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# Atom Kind Element X Y Z
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1 1 Na -0.00000139 -0.00000875 -0.00000875
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2 1 Na -0.00000135 0.00000877 0.00000877
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3 1 Na -0.00000139 0.00000875 -0.00000875
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4 1 Na -0.00000135 -0.00000877 0.00000877
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5 1 Na -0.00000139 -0.00000875 0.00000875
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6 1 Na -0.00000135 0.00000877 -0.00000877
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7 1 Na -0.00000139 0.00000875 0.00000875
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8 1 Na -0.00000135 -0.00000877 -0.00000877
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9 1 Na 0.00011013 -0.00000000 -0.00000000
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10 1 Na 0.00011901 -0.00000000 -0.00000000
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11 1 Na 0.00000109 0.00000000 -0.00000000
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12 1 Na 0.00000113 0.00000000 -0.00000000
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13 1 Na 0.00000109 -0.00000000 0.00000000
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14 1 Na 0.00000113 -0.00000000 0.00000000
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15 1 Na 0.00000001 0.00000000 0.00000000
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16 1 Na 0.00000003 0.00000000 0.00000000
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17 1 Na 0.00003360 0.00000020 -0.00000000
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18 1 Na -0.00001920 -0.00000000 -0.00000000
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19 1 Na 0.00003360 -0.00000020 -0.00000000
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20 1 Na -0.00001920 0.00000000 -0.00000000
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21 1 Na 0.00000393 0.00000001 0.00000000
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22 1 Na -0.00000440 0.00000001 0.00000000
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23 1 Na 0.00000393 -0.00000001 0.00000000
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24 1 Na -0.00000440 -0.00000001 0.00000000
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25 1 Na 0.00003360 -0.00000000 0.00000020
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26 1 Na -0.00001920 -0.00000000 -0.00000000
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27 1 Na 0.00000393 0.00000000 0.00000001
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28 1 Na -0.00000440 0.00000000 0.00000001
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29 1 Na 0.00003360 -0.00000000 -0.00000020
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30 1 Na -0.00001920 -0.00000000 0.00000000
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31 1 Na 0.00000393 0.00000000 -0.00000001
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32 1 Na -0.00000440 0.00000000 -0.00000001
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33 2 Cl -0.00049742 -0.00000000 -0.00000000
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34 2 Cl 0.00003168 -0.00000000 -0.00000000
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35 2 Cl -0.00001003 0.00000000 -0.00000000
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36 2 Cl 0.00001408 0.00000000 -0.00000000
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37 2 Cl -0.00001003 -0.00000000 0.00000000
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38 2 Cl 0.00001408 -0.00000000 0.00000000
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39 2 Cl -0.00000362 0.00000000 0.00000000
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40 2 Cl 0.00000375 0.00000000 0.00000000
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41 2 Cl -0.00001604 0.00000007 0.00000007
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42 2 Cl 0.00001094 -0.00000001 -0.00000001
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43 2 Cl -0.00001604 -0.00000007 0.00000007
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44 2 Cl 0.00001094 0.00000001 -0.00000001
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45 2 Cl -0.00001604 0.00000007 -0.00000007
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46 2 Cl 0.00001094 -0.00000001 0.00000001
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47 2 Cl -0.00001604 -0.00000007 -0.00000007
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48 2 Cl 0.00001094 0.00000001 0.00000001
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49 2 Cl 0.00002528 -0.00000000 0.00003998
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50 2 Cl 0.00002539 -0.00000000 -0.00004029
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51 2 Cl -0.00000038 0.00000000 0.00000412
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52 2 Cl -0.00000041 0.00000000 -0.00000414
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53 2 Cl 0.00002528 -0.00000000 -0.00003998
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54 2 Cl 0.00002539 -0.00000000 0.00004029
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55 2 Cl -0.00000038 0.00000000 -0.00000412
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56 2 Cl -0.00000041 0.00000000 0.00000414
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57 2 Cl 0.00002528 0.00003998 -0.00000000
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58 2 Cl 0.00002539 -0.00004029 -0.00000000
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59 2 Cl 0.00002528 -0.00003998 -0.00000000
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60 2 Cl 0.00002539 0.00004029 -0.00000000
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61 2 Cl -0.00000038 0.00000412 0.00000000
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62 2 Cl -0.00000041 -0.00000414 0.00000000
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63 2 Cl -0.00000038 -0.00000412 0.00000000
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64 2 Cl -0.00000041 0.00000414 0.00000000
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SUM OF ATOMIC FORCES 0.00000006 -0.00000000 0.00000000 0.00000006
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