{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 20.602648354738353,
 "energy": -592.82721469,
 "forces": {"__ndarray__": [[78, 3], "float64", [-0.002334, -0.001366, -0.002132, -0.001267, 0.00724, 0.003327, 0.001202, -0.000581, -0.001458, 0.0031, -0.002079, 0.004243, -0.002353, 0.00023, -0.002322, -0.003732, 0.001807, -0.003173, -0.000965, 0.001547, 0.00398, -0.001222, -0.001165, -0.001017, 0.001117, 0.002429, -0.000707, -0.002247, 0.000354, 0.000841, -0.00071, 0.00209, -0.001296, 0.004734, -0.002443, 0.001296, -0.000476, -0.001161, 2e-06, 0.001006, 0.004051, -0.002847, -0.003333, -0.000129, -0.000211, 0.004042, -0.002967, 0.00405, -0.000342, -0.004265, -0.000985, 0.001971, 0.000775, 0.000417, -0.000814, 0.002435, -0.00314, 0.000349, -0.009241, 0.002734, -0.002618, 0.001871, -0.007076, -0.004476, 0.000638, -0.005222, 0.000959, 0.000691, 0.003924, -0.002362, 0.00296, -0.000571, -0.004304, 0.001802, 0.001108, 0.000975, -0.001266, 0.002298, -0.002102, -3.2e-05, 0.004777, -0.001506, 2.5e-05, 0.00458, -0.001986, -0.001098, -8.9e-05, -0.003232, 0.000479, 0.000471, 0.001304, -0.00236, 0.004437, 0.001643, -0.001728, 0.0007, 0.00214, -0.002794, 0.003489, -0.002746, -0.005496, 0.001172, 0.004325, -0.002855, 0.0001, 0.00286, 0.001831, -0.003209, -0.000864, 0.001091, -0.00177, -0.002846, 0.003398, 0.002291, 0.004443, -0.005566, -0.002411, -0.00197, 0.004063, -0.003581, -0.002048, 0.000363, -0.001105, 0.001051, -0.001197, -0.000493, 0.000913, 0.006031, -0.002046, -0.000728, 0.002813, -0.000433, -0.000705, -0.003085, -0.003699, -0.001372, 0.001961, -0.001433, 0.003471, -7e-06, -0.003767, -0.000816, -0.001483, 0.009104, 0.001864, -0.000788, 0.000581, -0.002831, 0.001839, 0.001746, 0.002522, -0.006959, 0.005728, 0.0016, 0.001628, -0.001992, 0.001321, -0.002868, 0.002869, -0.002833, 0.006036, 0.001646, 0.002537, -0.003209, 0.003646, -0.001236, -0.000149, -0.005559, 0.002531, 0.000401, -0.001804, 0.000114, -0.000443, 0.002256, -5.5e-05, 0.002765, 0.002473, 0.002649, 0.000765, -0.002532, -0.001417, -0.003482, 0.00193, 0.001093, 0.003982, -0.001519, -0.001774, -0.001811, 0.000509, -0.001195, -0.000575, -0.001412, 7.5e-05, 0.003665, -0.005861, -0.002732, 6.9e-05, -1.8e-05, 0.003227, 0.001374, -0.004142, 0.003742, 0.001624, -0.004482, -0.000412, 0.000288, -0.000649, 0.00773, -0.001102, 0.001537, -0.000112, -0.001287, 0.000179, 0.003354, -0.001015, 0.001105, 0.004773, -0.002711, -0.000822, 0.00232, 0.000544, -0.004305, -0.000506, -0.000928, 0.003103, -0.006927, -0.002537, -0.001248, 0.000752, 0.003113, 0.000523, -0.005301, 0.003161, 0.003371]]},
 "free_energy": -592.9232353,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.15859043725463,
 "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", [9.47765, 8.43369, 14.55276, 11.21562, 10.97725, 14.62786, 7.16332, 13.20432, 12.35, 5.59873, 11.96869, 9.21852, 8.95759, 13.03534, 13.7247, 12.80571, 12.04288, 13.43802, 10.54824, 5.11869, 9.12321, 7.73439, 13.57707, 7.42743, 6.08559, 8.2667, 12.39478, 10.62471, 14.80552, 9.03217, 5.90386, 9.02139, 7.46823, 14.73193, 8.97403, 9.18407, 10.44463, 14.26537, 12.57571, 13.36449, 10.06226, 6.35699, 6.7563, 10.09955, 13.64738, 13.24309, 6.24561, 10.87548, 9.27538, 14.84222, 10.78458, 14.09508, 8.9562, 12.59068, 7.87115, 12.47595, 11.90761, 6.66595, 10.69866, 10.59863, 7.20141, 11.13368, 11.77428, 7.69444, 12.6113, 9.39914, 8.30332, 12.97352, 10.53549, 6.61223, 11.53393, 9.34827, 9.56847, 13.79038, 10.62733, 8.27945, 12.79989, 8.00186, 9.18094, 12.49424, 12.78891, 7.40664, 9.99798, 12.75754, 7.0628, 10.73152, 8.13591, 6.63767, 9.25777, 10.55856, 10.2661, 13.34215, 11.99626, 8.01214, 11.3985, 7.42097, 6.98871, 8.70972, 11.93787, 8.8458, 10.02097, 13.18048, 6.84185, 9.24152, 8.0196, 9.6348, 11.10996, 13.15542, 9.75221, 13.06314, 8.10371, 10.40548, 13.75233, 9.29991, 6.82719, 8.56315, 9.39222, 8.98347, 10.70141, 6.62633, 11.54478, 12.58865, 11.80844, 8.08862, 7.69703, 11.80596, 11.07069, 10.75173, 13.55271, 11.70979, 12.99598, 9.37945, 10.67409, 12.28321, 7.45193, 9.63096, 8.75808, 13.50075, 8.04358, 8.54901, 7.37332, 7.71031, 7.41483, 9.36559, 10.33815, 11.12013, 6.66187, 12.12497, 11.52296, 12.7301, 8.98598, 9.2549, 6.645, 12.20443, 12.49912, 10.60482, 9.25735, 7.70566, 12.51192, 8.32504, 6.95715, 10.55824, 11.05414, 9.25604, 13.2985, 11.91653, 12.25153, 8.22881, 8.43476, 7.39449, 8.13228, 10.37609, 8.82485, 6.66744, 13.05529, 11.29845, 10.59933, 11.20055, 9.97171, 6.64955, 9.65132, 6.48704, 10.55081, 12.98588, 10.67148, 11.81093, 10.26569, 6.98316, 11.74178, 11.95089, 8.56817, 12.54305, 12.77217, 11.09579, 8.20193, 9.77701, 6.91751, 8.09695, 10.72571, 7.67613, 7.41461, 13.33179, 10.63968, 9.36725, 13.21398, 9.19018, 11.94905, 11.58677, 7.38908, 11.78626, 12.62271, 9.97075, 7.17571, 10.43516, 6.21113, 9.29283, 12.8704, 8.75702, 8.09353, 13.25722, 8.47209, 10.61044, 11.79505, 6.91345, 9.35155, 12.57835, 7.1116, 10.64353, 11.96531, 7.7127, 8.20742, 13.63543, 9.15403, 9.33672]]},
 "stress": {"__ndarray__": [[6], "float64", [6.049270644806054e-05, 9.259902939160402e-05, 5.604251044130577e-05, 1.0048829692672045e-05, -4.2317431873488485e-06, -1.5578806778204612e-05]]},
 "unique_id": "7c1159d99d2f71e71d94ff3136766f1f",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}