optical-cupc / data /csv /clusters_summary.json
hduvallh's picture
Add packaged CuPc optical-tensor publication data
337acc7 verified
Raw History Blame Contribute Delete
11.1 kB
{
"clusters": [
{
"cluster": 0,
"n_transitions": 18,
"os_sum": 0.028313999999999995,
"en_mean": 284.0757994631632,
"en_min": 283.887,
"en_max": 284.297,
"atoms": [
2,
3,
4,
5,
6,
7,
10,
11,
12,
13,
14,
15
],
"mos": [
117,
118
]
},
{
"cluster": 1,
"n_transitions": 19,
"os_sum": 0.12294200000000001,
"en_mean": 285.0643932911454,
"en_min": 284.899,
"en_max": 285.424,
"atoms": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16
],
"mos": [
117,
119,
120
]
},
{
"cluster": 2,
"n_transitions": 5,
"os_sum": 0.0056619999999999995,
"en_mean": 285.4573595902508,
"en_min": 285.442,
"en_max": 285.478,
"atoms": [
2,
4,
5,
12,
13
],
"mos": [
120
]
},
{
"cluster": 3,
"n_transitions": 12,
"os_sum": 0.0071449999999999994,
"en_mean": 286.08158782365297,
"en_min": 285.793,
"en_max": 286.199,
"atoms": [
2,
4,
5,
7,
10,
12,
13,
15
],
"mos": [
121,
122,
123
]
},
{
"cluster": 4,
"n_transitions": 33,
"os_sum": 0.069688,
"en_mean": 286.7467001922856,
"en_min": 286.532,
"en_max": 287.176,
"atoms": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16
],
"mos": [
119,
120,
121,
124,
125
]
},
{
"cluster": 5,
"n_transitions": 7,
"os_sum": 0.003121,
"en_mean": 287.25656103812884,
"en_min": 287.189,
"en_max": 287.346,
"atoms": [
2,
3,
6,
11,
14,
15,
16
],
"mos": [
121,
126
]
},
{
"cluster": 6,
"n_transitions": 40,
"os_sum": 0.021997999999999997,
"en_mean": 287.72876534230386,
"en_min": 287.452,
"en_max": 288.079,
"atoms": [
2,
3,
4,
5,
6,
7,
10,
11,
12,
13,
14,
15
],
"mos": [
128,
129,
130,
131,
132,
133,
134
]
},
{
"cluster": 7,
"n_transitions": 7,
"os_sum": 0.02641,
"en_mean": 288.18576732298374,
"en_min": 288.129,
"en_max": 288.364,
"atoms": [
1,
2,
8,
9,
13,
15,
16
],
"mos": [
124,
136,
137
]
},
{
"cluster": 8,
"n_transitions": 62,
"os_sum": 0.03384,
"en_mean": 288.88488540189127,
"en_min": 288.403,
"en_max": 289.569,
"atoms": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16
],
"mos": [
127,
128,
129,
131,
137,
138,
145,
149,
150,
152,
153,
155,
156,
157,
158,
159,
160,
164,
165,
166,
169
]
},
{
"cluster": 9,
"n_transitions": 108,
"os_sum": 0.084394,
"en_mean": 290.0922948787829,
"en_min": 289.59,
"en_max": 290.528,
"atoms": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16
],
"mos": [
136,
137,
139,
142,
143,
144,
148,
149,
150,
152,
158,
169,
170,
171,
172,
173,
174,
175,
176,
177,
178,
179,
180,
181,
182,
183,
184,
185,
186,
187,
188
]
},
{
"cluster": 10,
"n_transitions": 242,
"os_sum": 0.148985,
"en_mean": 291.6365513977917,
"en_min": 290.591,
"en_max": 292.513,
"atoms": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16
],
"mos": [
180,
181,
183,
184,
185,
186,
187,
188,
189,
190,
191,
192,
193,
194,
195,
196,
197,
198,
199,
200,
201,
202,
203,
204,
205,
206,
207,
208,
209,
210,
211,
212,
213,
214,
215,
216,
217,
218,
219,
220
]
},
{
"cluster": 11,
"n_transitions": 240,
"os_sum": 0.1513,
"en_mean": 293.2932012227363,
"en_min": 292.519,
"en_max": 294.044,
"atoms": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16
],
"mos": [
198,
199,
200,
201,
202,
203,
204,
205,
206,
207,
208,
209,
210,
211,
212,
213,
214,
215,
216,
217,
218,
219,
220,
221,
222,
223,
224,
225,
226,
227,
228,
229,
230,
231,
232,
233,
234,
235,
236,
237
]
},
{
"cluster": 12,
"n_transitions": 260,
"os_sum": 0.151966,
"en_mean": 294.80819093086615,
"en_min": 294.047,
"en_max": 295.797,
"atoms": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16
],
"mos": [
227,
228,
229,
230,
231,
232,
234,
235,
236,
239,
240,
241,
242,
243,
244,
245,
246,
247,
248,
249,
250,
251,
252,
253,
254,
255,
256,
257,
258,
259,
260,
261,
262,
263,
264,
265,
266,
267,
268,
269
]
},
{
"cluster": 13,
"n_transitions": 585,
"os_sum": 0.456924,
"en_mean": 297.92021685663263,
"en_min": 295.812,
"en_max": 299.792,
"atoms": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16
],
"mos": [
260,
261,
262,
263,
264,
265,
266,
267,
268,
269,
270,
271,
272,
273,
274,
276,
277,
278,
279,
280,
282,
283,
284,
285,
286,
287,
288,
289,
290,
291,
292,
293,
294,
295,
296,
297,
298,
299,
300,
301
]
},
{
"cluster": 14,
"n_transitions": 671,
"os_sum": 0.606954,
"en_mean": 303.387206340184,
"en_min": 299.797,
"en_max": 306.174,
"atoms": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16
],
"mos": [
321,
322,
323,
324,
325,
326,
327,
328,
329,
330,
331,
332,
333,
334,
335,
336,
337,
338,
339,
340,
341,
342,
343,
344,
345,
346,
347,
348,
349,
350,
351,
352,
353,
354,
355,
356,
357,
358,
359,
360
]
},
{
"cluster": 15,
"n_transitions": 215,
"os_sum": 0.159987,
"en_mean": 308.130223249389,
"en_min": 306.179,
"en_max": 310.645,
"atoms": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16
],
"mos": [
385,
386,
387,
388,
389,
390,
391,
393,
394,
395,
396,
397,
398,
399,
400,
401,
402,
403,
404,
405,
406,
407,
408,
409,
410,
411,
412,
413,
414,
415,
416,
417,
418,
419,
420,
421,
422,
424,
425,
426
]
},
{
"cluster": 16,
"n_transitions": 490,
"os_sum": 0.5781149999999999,
"en_mean": 314.5832468072961,
"en_min": 310.674,
"en_max": 318.355,
"atoms": [
1,
2,
3,
4,
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16
],
"mos": [
418,
419,
420,
421,
422,
423,
424,
425,
426,
427,
428,
429,
430,
431,
432,
433,
434,
435,
436,
437,
438,
439,
440,
441,
442,
443,
444,
445,
446,
447,
448,
449,
450,
451,
452,
453,
454,
455,
456,
457
]
}
],
"n_transitions": 3014
}