arrow > 1.0 Å
arrow > 0.3 Å
arrow smaller
·
Overlay: before = small ghost spheres, after = full balls & sticks.
Diff heatmap: after only, colored by per-atom displacement (blue → red).
| # | Element | Displacement (Å) | CN before | CN after | ΔCN |
|---|---|---|---|---|---|
| 0 | O | 0.127 | 2 | 6 | +4 |
| 1 | O | 0.000 | 2 | 2 | — |
| 2 | O | 0.127 | 2 | 6 | +4 |
| 3 | O | 0.000 | 2 | 2 | — |
| 4 | O | 0.000 | 2 | 2 | — |
| 5 | O | 0.127 | 2 | 6 | +4 |
| 6 | O | 0.000 | 2 | 2 | — |
| 7 | O | 0.000 | 2 | 2 | — |
| 8 | O | 0.127 | 2 | 6 | +4 |
| 9 | O | 0.000 | 2 | 2 | — |
| 10 | O | 0.000 | 2 | 2 | — |
| 11 | O | 0.000 | 2 | 2 | — |
| 12 | O | 0.000 | 2 | 2 | — |
| 13 | O | 0.000 | 2 | 2 | — |
| 14 | O | 0.127 | 2 | 6 | +4 |
| 15 | O | 0.000 | 2 | 2 | — |
| 16 | O | 0.000 | 2 | 2 | — |
| 17 | O | 0.000 | 2 | 2 | — |
| 18 | O | 0.000 | 2 | 2 | — |
| 19 | O | 0.000 | 2 | 2 | — |
| 20 | O | 0.127 | 2 | 6 | +4 |
| 21 | O | 0.127 | 2 | 6 | +4 |
| 22 | O | 0.000 | 2 | 2 | — |
| 23 | O | 0.127 | 2 | 6 | +4 |
| 24 | Sr | 0.000 | 12 | 12 | — |
| 25 | Sr | 0.000 | 12 | 12 | — |
| 26 | Sr | 0.000 | 12 | 12 | — |
| 27 | Sr | 0.000 | 12 | 12 | — |
| 28 | Sr | 0.000 | 12 | 12 | — |
| 29 | Sr | 0.000 | 12 | 12 | — |
| 30 | Sr | 0.000 | 12 | 12 | — |
| 31 | Sr | 0.000 | 12 | 12 | — |
| 32 | Ti | 0.000 | 6 | 6 | — |
| 33 | Ti | 0.000 | 6 | 6 | — |
| 34 | Ti | 0.000 | 6 | 6 | — |
| 35 | Ti | 0.000 | 6 | 6 | — |
| 36 | Ti | 0.000 | 6 | 6 | — |
| 37 | Ti | 0.000 | 6 | 6 | — |
| 38 | Ti | 0.000 | 6 | 6 | — |
| 39 | Ti | 0.000 | 6 | 6 | — |