{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [19.568406858, -0.004924935, -0.040095184, -0.004913849, 19.499834493, 0.10439899, -0.040150098, 0.104500762, 19.498858915]]},
 "ctime": 20.60262545376166,
 "energy": -619.30187493,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.009507, -0.002343, -0.009121, -0.028167, 0.015117, 0.000329, -0.022278, 0.011264, 0.018903, 0.005822, 0.023215, 0.007844, -0.007681, 0.020665, 0.011689, -0.012402, 0.028154, 0.033644, -0.040674, -0.011371, 0.025529, 0.00433, -0.007512, 0.000872, -0.016838, -0.007493, -0.003513, 0.004372, -0.005238, 0.007742, -0.003723, -0.003576, -0.015941, -0.01603, -0.024667, -0.009013, -0.022215, -0.042322, 0.005055, 0.020682, 0.027003, -0.006792, 0.004079, 0.003336, 0.015059, -0.005026, 0.000766, 0.002247, 0.016317, 0.003177, 0.003734, 0.0015, 0.010168, -0.01008, 0.013012, -0.02495, -0.046292, 0.013023, -0.007788, 0.008369, 0.022388, -0.003336, -0.02689, 0.011492, -0.007308, 0.004755, -0.025564, 0.029849, 0.014556, 0.054304, -0.030269, 0.011479, -0.020121, 0.006799, -0.031191, 0.007794, -0.00301, -0.015079, -0.023634, -0.02046, -0.033313, 0.028038, 0.034842, -0.012567, -0.020861, -0.002231, -0.005144, 0.027746, 0.031762, -0.058128, 0.031167, 0.038653, -0.002978, 0.008563, -0.007605, 0.004421, 0.014287, -0.037809, 0.019859, 0.013127, -0.018342, 0.023217, -0.046251, 0.019804, 0.026992, 0.005082, 0.004139, 0.039437, -0.01329, 0.044897, -0.060746, 0.029047, 0.031135, -0.028123, 0.001927, -0.011279, 0.013554, 0.008272, -0.073208, 0.039869, -0.016223, 0.067984, -0.02194, 0.039657, -0.060224, 0.020749, 0.022287, -0.0516, -0.008435, -0.045055, 0.032096, 0.016028, -0.004054, -0.002645, -0.026027, -0.04773, 0.001328, -0.001443, 0.039818, 0.01603, 0.05758, -0.002641, -0.049484, 0.056333, 0.013817, -0.005154, 0.018725, -0.034648, 0.028065, -0.050459, -0.05478, 0.033466, -0.005027, 0.013293, 0.049747, -0.006828, 0.014652, -0.015932, -0.017385, -0.022284, 0.0045, -0.007475, 0.011257, 0.012413, 0.034252, 0.013158, -0.029361, 0.025069, 0.027127, -0.010805, -0.001103, -0.035078, 0.002803, 0.039316, -0.042709, 0.054059, -0.037735, 0.029289, 0.00772, 0.041665, -0.003289, 0.036634, -0.013054, 0.045184, -0.017015, -0.022397, 0.030961, -0.008262, -0.073582, -0.016122, 0.024013, -0.034252, 0.036609, 0.01885, 0.052487, 0.006651, 0.006455, -0.009236, 0.003091, -0.023944, 0.064597, -0.014064, -0.06154, 0.004243, -0.01904, -0.0038, -0.017586, -0.003974, 0.019664, -0.04625, -0.012455, 0.05297, -0.025907, 0.023628, -0.01386, 0.03326, -0.001685, 0.037117, -0.021907, -0.030359, 0.035514, -0.056732, 0.023837, -0.061596, 0.023286, 0.022821, 0.014669, 0.001578, -0.024463, -0.035484, -0.037615, 0.022828, -0.027261, -0.003369, -0.008647, 0.021627, -0.012532, -0.027178, -0.016526, 0.075543, -0.007057, 0.000411, 0.018775, 0.011413, -0.025288, -0.00961, -0.001028, -0.04964, -0.011763, -0.007939, -0.04134, 0.031916]]},
 "free_energy": -619.44119172,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.585116256665124,
 "numbers": {"__ndarray__": [[84], "int32", [1, 1, 1, 1, 1, 1, 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__": [[84, 3], "float64", [6.90363, 13.10685, 12.38622, 4.89516, 10.90956, 10.43699, 5.81003, 11.26083, 12.50572, 7.22758, 14.01581, 10.42827, 9.28956, 14.6906, 10.43635, 8.72278, 12.89571, 13.55676, 4.97783, 8.64781, 10.82149, 10.06806, 14.14859, 12.40011, 5.60156, 8.944, 7.15916, 5.18655, 7.69687, 8.90577, 12.04423, 13.31392, 12.54026, 7.13258, 7.87996, 6.02389, 6.5462, 6.01819, 9.11343, 13.01094, 13.57839, 10.48276, 7.50112, 6.0512, 7.16485, 14.28474, 11.70912, 10.8795, 13.6478, 11.58793, 7.20771, 9.53811, 5.39083, 7.39551, 10.79858, 6.70861, 5.98967, 14.70134, 10.825, 8.96437, 13.06069, 9.82711, 6.06205, 13.83247, 8.13103, 7.20246, 12.58205, 6.39114, 7.4107, 14.59899, 8.6662, 9.16105, 7.5201, 12.39445, 11.82246, 5.94356, 10.56743, 10.4434, 6.63021, 11.06155, 11.7958, 7.45835, 12.28346, 9.2601, 7.82022, 13.08849, 10.45391, 6.65652, 11.08299, 9.26186, 9.36247, 13.59255, 10.4611, 8.18599, 12.32419, 8.07227, 8.90588, 12.35101, 12.61433, 7.3313, 9.82008, 12.25253, 6.8526, 10.38384, 8.08422, 5.96329, 8.97306, 10.44925, 10.00323, 13.20954, 11.83544, 7.83081, 11.12439, 7.32861, 6.97106, 8.68556, 11.52159, 8.52066, 9.84321, 12.99443, 6.50082, 8.96766, 7.79711, 9.34824, 10.99401, 13.00974, 9.54845, 12.773, 8.0786, 10.14488, 13.16459, 9.27423, 6.16893, 8.15142, 9.08894, 8.80153, 10.41533, 6.65262, 11.51091, 12.66693, 11.82137, 7.79739, 7.55239, 11.51537, 10.69762, 10.55876, 13.00922, 11.50395, 12.67574, 9.28913, 10.55638, 12.01985, 7.34238, 9.35733, 8.66006, 13.05068, 7.62682, 8.17712, 6.96382, 7.18414, 6.91908, 9.10945, 10.20442, 10.87612, 6.65935, 11.67699, 11.25093, 12.28037, 8.81599, 9.00264, 6.63019, 12.37228, 12.67955, 10.47844, 9.00224, 7.52989, 12.32189, 8.02965, 6.82745, 10.32, 10.72379, 9.10983, 13.05971, 11.77536, 12.00463, 8.11182, 7.98201, 6.86014, 7.73057, 10.1728, 8.60774, 6.66752, 13.30166, 11.38566, 10.49444, 11.03098, 9.72892, 6.64484, 9.38513, 6.41038, 10.32267, 12.64998, 10.55595, 11.55891, 9.99957, 6.81476, 11.57231, 11.6897, 8.41675, 12.33906, 12.9022, 11.07258, 7.83622, 9.52669, 6.42725, 7.77569, 10.62187, 7.23077, 6.94349, 13.63979, 10.60585, 9.13539, 12.65602, 9.15324, 11.54652, 11.31982, 7.25111, 11.58052, 12.47473, 9.77018, 6.99402, 10.14219, 6.4158, 9.14331, 12.9597, 8.49521, 7.75893, 12.91066, 8.43616, 10.34927, 11.47015, 6.85108, 9.15186, 12.06867, 7.29396, 10.34077, 11.97244, 7.23097, 7.7911, 13.55201, 9.01427, 9.14636]]},
 "stress": {"__ndarray__": [[6], "float64", [3.276792291088711e-06, -3.4328300192357924e-05, -3.0027900404624353e-05, 3.558908503578634e-05, -1.7264014242193094e-05, 3.05334626438209e-05]]},
 "unique_id": "9f7e32ec3f865d45a0518a82397b296e",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}