{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [9.098273440445439, -5.324171408655742e-17, -5.248799299418453e-17, 4.3353643100754847e-16, 6.5405301614574745, -3.5557542254590535e-06, 4.1644188793896305e-16, -3.341722460300389e-06, 6.71795966865215]]}, "__ase_objtype__": "cell"}, "ctime": 24.376456802884835, "energy": 693.7113960781536, "forces": {"__ndarray__": [[16, 3], "float64", [0.0, 0.0004509231339377642, -0.0008357805244178152, 0.0, -0.00044993628302514706, -0.0008366465746088009, 0.0, 9.058137668316504e-05, 0.00013979994874439714, 0.0, -8.755033535067636e-05, 0.00013808695512000337, -0.0038303449817884343, -0.004669576676571697, 8.13111809754567e-05, 0.0038303449817884343, -0.004669576676571697, 8.13111809754567e-05, 0.0038305419551018407, 0.004668730381323566, 8.21293093146143e-05, -0.0038305419551018407, 0.004668730381323566, 8.21293093146143e-05, 0.0, -0.0037333648446185312, -0.0017420967419753885, 0.0, 0.0037354000971745135, -0.0017422462111489187, 0.0, 0.0016893935733819372, 0.00315131791526936, 0.0, -0.001690555667334829, 0.003150360842125271, 0.002566035460036571, -0.0022546820009373245, -0.0004401650645139277, -0.002566035460036571, -0.0022546820009373245, -0.0004401650645139277, -0.002566026634765049, 0.0022530465061561806, -0.000440270846527337, 0.002566026634765049, 0.0022530465061561806, -0.000440270846527337]]}, "mtime": 24.376456802884835, "numbers": {"__ndarray__": [[16], "int64", [32, 32, 56, 56, 29, 29, 29, 29, 34, 34, 34, 34, 34, 34, 34, 34]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[16, 3], "float64", [4.549136720222727, 1.3654314565132084, 3.3060030292668703, 3.6817065124046184e-16, 5.175097547907739, -0.05297712466561638, 4.54913672022273, 4.878153603066145, 6.551940192661617, 3.299596323459684e-16, 1.6623613732690268, 3.192970964955196, 6.817558553781248, 4.5447039538019895, 3.433726843051207, 2.2807148866641995, 4.5447039538019895, 3.433726843051207, 6.829851606100186, 1.9958224169323378, 6.792709349350476, 2.268421834345275, 1.9958224169323378, 6.792709349350476, 4.549136720222727, 1.6377788375077635, 0.9139251674377056, 6.161367993388501e-16, 4.90274285891657, 4.272905413109549, 4.54913672022273, 5.52989633204126, 3.4463612519421183, 9.846889121927695e-17, 1.0106331529965655, 0.08738775794834516, 7.29451272274159, 4.121583966237559, 1.101537376287282, 1.8037607177038573, 4.121583966237559, 1.1015373762872822, 6.352896389751466, 2.418947063994536, 4.460518839384008, 2.7453770506939894, 2.418947063994536, 4.460518839384008]]}, "stress": {"__ndarray__": [[6], "float64", [3.159467808293509e-05, 5.7135066517062325e-06, 1.4610676151308741e-05, -7.246423255256883e-09, 0.0, 0.0]]}, "unique_id": "ec8e4c0aedfbbfb3678c9aa8c72688c6", "user": "cmr"}, "ids": [1], "nextid": 2}