elt | atwt | alat |
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| esub | asub | α | Z | lat | ibar | rozero |
Ti | 47.88 | 2.92 | 2.7 | 1.0 | 3.0 | 1.0 | 1.0 | 6.8 | −2.0 | −12.0 | 4.87 | 0.66 | 4.71 | 12 | hcp | 3.0 | 1.0 |
N | 14.00 | 1.10 | 2.75 | 4.0 | 4.0 | 4.0 | 1.0 | 0.05 | 1.0 | 0.00 | 4.88 | 1.80 | 5.96 | 1 | dim | 3.0 | 18 |