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ENCUT=475 |
lattice constant: 16 |
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| 250 |
-1.11017147 |
8 |
-1.11785755 |
250 |
-6.69535451 |
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| 275 |
-1.10998196 |
9 |
-1.11708933 |
275 |
-6.71060944 |
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| 300 |
-1.11159491 |
10 |
-1.11701552 |
300 |
-6.72661772 |
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| 325 |
-1.11292782 |
11 |
-1.11702251 |
325 |
-6.73661034 |
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| 350 |
-1.11364739 |
12 |
-1.11693295 |
350 |
-6.74610187 |
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| 375 |
-1.11508057 |
13 |
-1.11691157 |
375 |
-6.75358086 |
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| 400 |
-1.11551171 |
14 |
-1.11665485 |
400 |
-6.75891836 |
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| 425 |
-1.11634221 |
15 |
-1.11693803 |
425 |
-6.76299109 |
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| 450 |
-1.11687444 |
16 |
-1.11687328 |
450 |
-6.76644806 |
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| 475 |
-1.11701552 |
17 |
-1.11687333 |
475 |
-6.76862178 |
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| 500 |
-1.11713349 |
18 |
-1.11675554 |
500 |
-6.77014457 |
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| 525 |
-1.11728935 |
19 |
-1.11678776 |
525 |
-6.77126763 |
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| 550 |
-1.11732253 |
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550 |
-6.77192706 |
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| 575 |
-1.11742799 |
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575 |
-6.77242406 |
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| 600 |
-1.11745616 |
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600 |
-6.77274347 |
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| 650 |
-1.11749942 |
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650 |
-6.77306697 |
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| 700 |
-1.11752235 |
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700 |
-6.77319094 |
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| 750 |
-1.11752375 |
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750 |
-6.77323491 |
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