{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [16.491488407, 0.331009914, 0.280337791, 0.335607897, 15.872288411, 0.029814534, 0.282592976, 0.027592599, 16.185138753]]},
 "ctime": 20.602647745499794,
 "energy": -595.99783982,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.009713, -0.114562, 0.052833, 0.046291, -0.062742, -0.112004, 0.050852, -0.003315, -0.078937, -0.100046, 0.094556, -0.052457, 0.066889, -0.132503, 0.064387, -0.038393, -0.063079, 0.064804, -0.08676, 0.030835, -0.010482, -0.176694, 0.032527, -0.042543, 0.111056, -0.042023, 0.100937, 0.040409, 0.071486, -0.177903, -0.034004, 0.019492, -0.013804, -0.009525, 0.000564, -0.01046, 0.00632, 0.039753, -0.202442, -0.006744, 0.017885, 0.150104, -0.068558, -0.078347, 0.078819, 0.088254, 0.039961, -0.193262, -0.008329, 0.020265, -0.042996, 0.146193, -0.059268, -0.044723, -0.075231, 0.192795, 0.244245, 0.002304, 0.07178, -0.091682, 0.027669, 0.005658, 0.030474, 0.106949, -0.091755, 0.041073, 0.054244, -0.120993, -0.025641, -0.038153, 0.015785, -0.032974, -0.037771, 0.085273, -0.06697, 0.052236, 0.138832, 0.017264, 0.080173, 0.093434, 0.075154, 0.051136, -0.035256, -0.007435, 0.017922, -0.01434, -0.013195, -0.039325, 0.005268, -0.082132, 0.095228, 0.103985, 0.013245, 0.011263, -0.149065, 0.08772, -0.007133, -0.022272, -0.061312, -0.003036, 0.150433, 0.093149, 0.024837, -0.026941, -0.117549, 0.030642, 0.041604, 0.137982, -0.129497, -0.038082, -0.015825, -0.128481, 0.02915, 0.062349, 0.0129, 0.028326, 0.022404, 0.006567, 0.156731, -0.030085, -0.060387, 0.040696, -0.002047, 0.125959, -0.072527, -0.012687, 0.108221, 0.035272, 0.055744, -0.114266, -0.052822, 0.009591, 0.166406, 0.0228, 0.001771, -0.001111, 0.064945, -0.038996, 0.000583, -0.033102, -0.054961, -0.132348, -0.093708, -0.021962, 0.039289, 0.037791, -0.088518, -0.128255, -0.017189, 0.099344, 0.0239, 0.166098, 0.221368, -0.118547, 0.004691, -0.015293, 0.101865, 0.119015, 0.041024, -0.055474, -0.027858, 0.012871, -0.001785, 0.115028, -0.031658, -0.049126, 0.051161, 0.180872, -0.085349, -0.077932, 0.034374, 0.070673, 0.014588, 0.030527, 0.055182, 0.031152, -0.044366, -0.005623, -0.145828, -0.109555, 0.047942, -0.07267, -0.130901, -0.09956, -0.060439, 0.075454, -0.075657, -0.19017, 0.077907, -0.047029, 0.05117, -0.192567, 0.063231, 0.00549, 0.063405, -0.137642, 0.009444, -0.135372, -0.10584, -0.127629, -0.061478, -0.039053, -0.008408, 0.159234, 0.09403, 0.062493, 0.017053, 0.012662, -0.083923, 0.131672, 0.098138, 0.053162, 0.028164, 0.101925, -0.150598, 0.014734, 0.050871, -0.132841, -0.093723, -0.020665, 0.01453, 0.041133, 0.081873, -0.096635, 0.122479, -0.020668, 0.10641, 0.03885, -0.042304, 0.052772, -0.144132, -0.054429, -0.046264, -0.089487]]},
 "free_energy": -596.09519058,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.644600367587906,
 "numbers": {"__ndarray__": [[78], "int32", [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6]]},
 "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]},
 "positions": {"__ndarray__": [[78, 3], "float64", [7.9844, 9.98711, 12.83456, 4.81203, 10.04761, 10.83273, 5.6149, 6.31954, 4.67987, 13.3297, 6.93914, 7.56118, 11.79636, 8.09194, 4.52328, 4.44653, 9.22311, 5.76428, 8.03254, 3.32505, 9.13056, 9.39447, 4.8887, 4.76262, 10.57482, 4.5652, 10.76265, 9.14714, 12.25197, 10.86192, 9.00019, 9.42283, 3.61902, 8.21331, 13.01336, 8.87155, 12.67654, 8.97831, 10.78026, 5.82799, 4.05734, 9.17129, 10.15257, 9.16119, 12.86143, 6.12716, 4.43718, 5.95911, 9.67632, 11.27491, 4.69374, 12.3632, 6.1634, 5.64869, 6.76493, 10.50331, 10.02782, 5.13849, 9.01287, 8.90277, 5.61977, 9.55435, 10.25285, 6.28319, 10.80828, 7.66818, 6.92834, 11.24982, 8.81281, 5.36009, 9.69274, 7.71828, 8.3032, 11.91397, 8.82188, 7.01576, 10.74069, 6.40108, 7.90839, 10.49531, 10.76422, 6.16122, 8.29344, 10.92153, 5.35851, 8.98811, 6.35785, 5.11106, 7.59544, 8.95207, 8.95822, 11.40549, 10.17382, 6.57095, 9.63357, 5.66338, 5.74289, 7.13492, 10.14547, 7.35085, 8.2713, 11.60149, 5.52674, 7.50289, 6.50762, 8.20321, 9.51514, 11.85884, 8.39702, 11.12073, 6.4096, 9.03572, 11.51948, 7.56518, 5.41982, 6.86758, 7.74553, 7.48682, 8.80441, 4.9817, 10.22302, 10.60526, 10.00664, 6.46657, 5.94747, 10.15673, 9.69894, 8.96926, 11.87353, 10.3804, 10.98215, 7.56688, 9.40265, 10.51138, 5.44229, 8.18743, 7.10774, 11.56905, 6.26502, 6.61821, 5.52158, 6.09374, 5.63819, 7.74535, 8.91884, 9.24367, 4.70886, 10.57181, 9.55788, 10.7929, 7.45466, 7.4147, 5.04271, 10.97128, 10.55038, 8.75507, 7.74588, 5.95665, 10.79949, 6.48506, 4.93231, 9.00334, 9.53558, 7.46344, 11.62311, 10.58382, 10.24882, 6.36221, 6.64433, 5.32711, 6.36901, 8.82585, 6.95313, 5.10182, 11.8045, 9.40589, 8.76981, 9.70299, 7.98947, 5.01324, 7.99323, 4.42146, 8.98887, 11.76099, 8.80818, 10.17456, 8.64496, 5.16519, 10.12644, 10.47171, 6.73468, 10.8569, 11.35342, 9.10078, 6.39122, 8.12964, 5.10428, 6.53483, 9.21019, 5.60676, 5.59008, 11.97952, 8.67615, 7.59644, 11.44011, 7.34887, 10.06669, 10.11361, 5.40865, 10.20394, 11.14522, 7.959, 5.40873, 8.70469, 4.78409, 7.71687, 11.57571, 6.66147, 6.22811, 11.66088, 6.59309, 8.86311, 10.1284, 5.15411, 7.67428, 10.81879, 5.49961, 8.86924, 10.43859, 5.71309, 6.46226, 12.25068, 7.18043, 7.59668]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00034458123582176294, -0.0005830380919761328, -0.00034323306985057213, -0.0003669195969832991, -7.778168672675717e-05, 2.4516647846469437e-05]]},
 "unique_id": "5a88a140fe10902b70bb62ee39790e18",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}