{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [6.684481302178752, 0.0, -0.08742616102550582, 4.177281253712814e-16, 6.8226014608028365, -5.4634555326961294e-18, 0.18673212514433962, -3.1974935710105123, 14.277275639259527]]}, "__ase_objtype__": "cell"}, "ctime": 24.927709674851727, "dipole": {"__ndarray__": [[3], "float64", [-0.6060670809126012, 12.764088272411286, -46.36390349878021]]}, "energy": -47.95898460021537, "forces": {"__ndarray__": [[18, 3], "float64", [-0.04450604144954118, 0.018639381236131014, 0.037077875351663195, 0.04560198685334455, 0.018615338384936574, 0.035912774487705454, -0.042196241407442076, -0.041820628855820156, -0.012927957442015664, 0.015163367491816711, 0.015004078323230424, -0.04338403677736901, 0.005280775905152447, 0.0073525969215864455, -0.014088808201626318, 0.03546781627772715, 0.005281210252444053, -0.004819079869514313, 0.0008560017408498811, -0.007298741501395014, 0.007217945601392498, -0.025494620764218337, -0.040499467665779734, 0.006680317347882794, -0.005702608676095922, -0.004626448922472976, -0.019275291416237926, 0.04186901622686503, -0.04185656743649051, -0.014066969698336219, -0.016226544360257503, 0.014957334627264144, -0.042907923769819924, -0.005669548903733648, 0.007344889972524135, -0.013968461862821073, -0.03567452586224566, 0.005297753690371269, -0.0038819439738725535, -0.0006746657308080728, -0.0072692451945157366, 0.007220547001774972, 0.0256310407430862, -0.04043834446703153, 0.006001464303073555, 0.005185099496132135, -0.0046480628587736, -0.019398667303955182, 0.04172058148195258, 0.04530051664877677, 0.044153500365205184, -0.040619937854768265, 0.04516929036792494, 0.045279850633461564]]}, "free_energy": -47.9589846008908, "mtime": 24.927709674851727, "numbers": {"__ndarray__": [[18], "int64", [13, 13, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 35, 34, 34]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[18, 3], "float64", [6.792299157988944, -0.08736395867757654, 9.3796175520196, 0.046442005687538535, 1.5113888787578502, 2.327983571601427, 1.404249237841649, 2.6189219395847085, 12.777029145074616, 4.298735735029918, -2.0302297094443373, 12.732600169517552, 5.891665689722537, 1.004992016387415, 11.23569801983454, 2.414447183784412, 0.08937766568434465, 9.539614338531385, 6.026965164359537, 4.526020047332876, 9.411844306450222, 2.7182502121880505, 3.3576560794392503, 7.681285831331731, 5.9313573804808195, 0.8444589278053897, 7.4130757678796595, 5.521513135822323, 4.2176746459992405, 5.583326680676825, 2.626844624635159, -0.4314868714536057, 5.614603786276752, 0.9953203561143971, 2.603744853822844, 4.159874321355979, 4.426990958026449, 1.688120503355326, 2.3734293265241324, 0.8123671804123394, 6.124772753427659, 2.3401930278095886, 4.074690100514786, 4.956398918112243, 0.523681983941628, 0.8556673854790762, 2.443211765603327, 0.3395977150963297, 4.031600438145912, -1.5740188186052124, 7.13134170244551, 2.747406171470955, 0.024734018510464452, 0.008274773414718184]]}, "stress": {"__ndarray__": [[6], "float64", [-0.0033038158504196265, -0.003335705571102959, -0.0033948356401314024, 0.0003389455999506645, -9.568426592823347e-07, 4.296694640123392e-06]]}, "unique_id": "72f8a96a1b94f24216fee69ba8315982", "user": "cmr"}, "ids": [1], "nextid": 2}