Upload omat24_stats.json with huggingface_hub
Browse files- omat24_stats.json +579 -0
omat24_stats.json
CHANGED
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@@ -2309,6 +2309,585 @@
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"mean": 2.1195997107830666
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}
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}
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| 2312 |
}
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| 2313 |
}
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| 2314 |
}
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| 2309 |
"mean": 2.1195997107830666
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| 2310 |
}
|
| 2311 |
}
|
| 2312 |
+
},
|
| 2313 |
+
"train": {
|
| 2314 |
+
"n_samples": 100824585,
|
| 2315 |
+
"n_atoms": 1883602758,
|
| 2316 |
+
"atoms_min": 1,
|
| 2317 |
+
"atoms_max": 236,
|
| 2318 |
+
"atoms_mean": 18.7,
|
| 2319 |
+
"energy_total_min_eV": -3893.49,
|
| 2320 |
+
"energy_total_max_eV": 4926.6,
|
| 2321 |
+
"n_elements": 89,
|
| 2322 |
+
"element_zs": [
|
| 2323 |
+
1,
|
| 2324 |
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2,
|
| 2325 |
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3,
|
| 2326 |
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4,
|
| 2327 |
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5,
|
| 2328 |
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6,
|
| 2329 |
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7,
|
| 2330 |
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8,
|
| 2331 |
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9,
|
| 2332 |
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10,
|
| 2333 |
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11,
|
| 2334 |
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12,
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| 2335 |
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13,
|
| 2336 |
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14,
|
| 2337 |
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15,
|
| 2338 |
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16,
|
| 2339 |
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17,
|
| 2340 |
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18,
|
| 2341 |
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19,
|
| 2342 |
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20,
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| 2343 |
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21,
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| 2344 |
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22,
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| 2345 |
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23,
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| 2346 |
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24,
|
| 2347 |
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25,
|
| 2348 |
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26,
|
| 2349 |
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27,
|
| 2350 |
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28,
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| 2351 |
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29,
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| 2352 |
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30,
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| 2353 |
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31,
|
| 2354 |
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32,
|
| 2355 |
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33,
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| 2356 |
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34,
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| 2357 |
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35,
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| 2358 |
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36,
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| 2359 |
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37,
|
| 2360 |
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38,
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| 2361 |
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39,
|
| 2362 |
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40,
|
| 2363 |
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41,
|
| 2364 |
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42,
|
| 2365 |
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43,
|
| 2366 |
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44,
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| 2367 |
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45,
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| 2368 |
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46,
|
| 2369 |
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47,
|
| 2370 |
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48,
|
| 2371 |
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49,
|
| 2372 |
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50,
|
| 2373 |
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51,
|
| 2374 |
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52,
|
| 2375 |
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53,
|
| 2376 |
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54,
|
| 2377 |
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55,
|
| 2378 |
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56,
|
| 2379 |
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57,
|
| 2380 |
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58,
|
| 2381 |
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59,
|
| 2382 |
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60,
|
| 2383 |
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61,
|
| 2384 |
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62,
|
| 2385 |
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63,
|
| 2386 |
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64,
|
| 2387 |
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65,
|
| 2388 |
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66,
|
| 2389 |
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67,
|
| 2390 |
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68,
|
| 2391 |
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69,
|
| 2392 |
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70,
|
| 2393 |
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71,
|
| 2394 |
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72,
|
| 2395 |
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73,
|
| 2396 |
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74,
|
| 2397 |
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75,
|
| 2398 |
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76,
|
| 2399 |
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77,
|
| 2400 |
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78,
|
| 2401 |
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79,
|
| 2402 |
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80,
|
| 2403 |
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81,
|
| 2404 |
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82,
|
| 2405 |
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83,
|
| 2406 |
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89,
|
| 2407 |
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90,
|
| 2408 |
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91,
|
| 2409 |
+
92,
|
| 2410 |
+
93,
|
| 2411 |
+
94
|
| 2412 |
+
],
|
| 2413 |
+
"element_symbols": [
|
| 2414 |
+
"H",
|
| 2415 |
+
"He",
|
| 2416 |
+
"Li",
|
| 2417 |
+
"Be",
|
| 2418 |
+
"B",
|
| 2419 |
+
"C",
|
| 2420 |
+
"N",
|
| 2421 |
+
"O",
|
| 2422 |
+
"F",
|
| 2423 |
+
"Ne",
|
| 2424 |
+
"Na",
|
| 2425 |
+
"Mg",
|
| 2426 |
+
"Al",
|
| 2427 |
+
"Si",
|
| 2428 |
+
"P",
|
| 2429 |
+
"S",
|
| 2430 |
+
"Cl",
|
| 2431 |
+
"Ar",
|
| 2432 |
+
"K",
|
| 2433 |
+
"Ca",
|
| 2434 |
+
"Sc",
|
| 2435 |
+
"Ti",
|
| 2436 |
+
"V",
|
| 2437 |
+
"Cr",
|
| 2438 |
+
"Mn",
|
| 2439 |
+
"Fe",
|
| 2440 |
+
"Co",
|
| 2441 |
+
"Ni",
|
| 2442 |
+
"Cu",
|
| 2443 |
+
"Zn",
|
| 2444 |
+
"Ga",
|
| 2445 |
+
"Ge",
|
| 2446 |
+
"As",
|
| 2447 |
+
"Se",
|
| 2448 |
+
"Br",
|
| 2449 |
+
"Kr",
|
| 2450 |
+
"Rb",
|
| 2451 |
+
"Sr",
|
| 2452 |
+
"Y",
|
| 2453 |
+
"Zr",
|
| 2454 |
+
"Nb",
|
| 2455 |
+
"Mo",
|
| 2456 |
+
"Tc",
|
| 2457 |
+
"Ru",
|
| 2458 |
+
"Rh",
|
| 2459 |
+
"Pd",
|
| 2460 |
+
"Ag",
|
| 2461 |
+
"Cd",
|
| 2462 |
+
"In",
|
| 2463 |
+
"Sn",
|
| 2464 |
+
"Sb",
|
| 2465 |
+
"Te",
|
| 2466 |
+
"I",
|
| 2467 |
+
"Xe",
|
| 2468 |
+
"Cs",
|
| 2469 |
+
"Ba",
|
| 2470 |
+
"La",
|
| 2471 |
+
"Ce",
|
| 2472 |
+
"Pr",
|
| 2473 |
+
"Nd",
|
| 2474 |
+
"Pm",
|
| 2475 |
+
"Sm",
|
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| 2478 |
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| 2491 |
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| 2492 |
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| 2493 |
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| 2494 |
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| 2495 |
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| 2497 |
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| 2498 |
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| 2499 |
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| 2500 |
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| 2501 |
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| 2502 |
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| 2503 |
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| 2505 |
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| 2548 |
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| 2549 |
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