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43 | 43 | "\n",
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44 | 44 | "# List of dictionaries with defect parameters\n",
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45 | 45 | "DEFECT_CONFIGS = [\n",
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46 |
| - " {\n", |
47 |
| - " \"defect_type\": \"vacancy\",\n", |
48 |
| - " \"approximate_coordinate\": [0.0, 0.25, 0.525],\n", |
| 46 | + " {\n", |
| 47 | + " \"defect_type\": \"vacancy\",\n", |
| 48 | + " \"approximate_coordinate\": [0.0, 0.25, 0.525],\n", |
49 | 49 | " },\n",
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50 | 50 | " {\n",
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51 |
| - " \"defect_type\": \"interstitial\",\n", |
52 |
| - " \"coordinate\": [0.0, 0.25, 0.35],\n", |
53 |
| - " \"chemical_element\": \"O\",\n", |
54 |
| - " \"placement_method\": \"voronoi_site\"\n", |
55 |
| - "}\n", |
| 51 | + " \"defect_type\": \"interstitial\",\n", |
| 52 | + " \"coordinate\": [0.0, 0.25, 0.35],\n", |
| 53 | + " \"chemical_element\": \"O\",\n", |
| 54 | + " \"placement_method\": \"voronoi_site\"\n", |
| 55 | + " }\n", |
56 | 56 | "]"
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57 | 57 | ],
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58 | 58 | "metadata": {
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|
167 | 167 | " data=DEFECT_CONFIG,\n",
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168 | 168 | ") for DEFECT_CONFIG in DEFECT_CONFIGS]\n",
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169 | 169 | "\n",
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170 |
| - "params = VoronoiInterstitialPointDefectBuilderParameters(clustering_tol = 0.9, min_dist=0.2)" |
| 170 | + "params = VoronoiInterstitialPointDefectBuilderParameters(clustering_tol=0.9, min_dist=0.2)" |
171 | 171 | ],
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172 | 172 | "metadata": {
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173 | 173 | "collapsed": false
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