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relaxed_magmom is unknow
Hello developers:
When I used the casm query -k relaxed_magmom to get the magnetic moment of configurations, I found the magnetic moment of all configurations shows unknow. How should I do to get these values?
name selected relaxed_magmom
SCEL1_1_1_1_0_0_0/0 1 unknown
SCEL1_1_1_1_0_0_0/1 1 unknown
SCEL1_1_1_1_0_0_0/2 1 unknown
SCEL1_1_1_1_0_0_0/3 1 unknown
SCEL1_1_1_1_0_0_0/4 1 unknown
SCEL1_1_1_1_0_0_0/5 1 unknown
SCEL2_2_1_1_0_0_1/0 1 unknown
SCEL2_2_1_1_0_0_1/1 1 unknown
SCEL2_2_1_1_0_0_1/2 1 unknown
SCEL2_2_1_1_0_0_1/3 1 unknown
SCEL2_2_1_1_0_0_1/4 1 unknown
SCEL2_2_1_1_0_0_1/5 1 unknown
SCEL2_2_1_1_0_0_1/6 1 unknown
SCEL2_2_1_1_0_1_1/0 1 unknown
SCEL2_2_1_1_0_1_1/1 1 unknown
SCEL2_2_1_1_0_1_1/2 1 unknown
SCEL2_2_1_1_0_1_1/3 1 unknown
SCEL2_2_1_1_0_1_1/4 1 unknown
SCEL2_2_1_1_0_1_1/5 1 unknown
SCEL2_2_1_1_0_1_1/6 1 unknown
SCEL3_3_1_1_0_0_2/0 1 unknown
SCEL3_3_1_1_0_0_2/1 1 unknown
SCEL3_3_1_1_0_0_2/2 1 unknown
SCEL3_3_1_1_0_0_2/3 1 unknown
SCEL3_3_1_1_0_0_2/4 1 unknown
SCEL3_3_1_1_0_0_2/5 1 unknown
SCEL3_3_1_1_0_0_2/6 1 unknown
In the properties_calc.json, it contains Cmagspin parameter as follow:
{
"atom_coords" : [
[0.3333337468, 0.3333337468, 0.6666675936],
[0.6632183136, 0.6632183136, 0.3264365271],
[0.0034479397, 0.0034479397, 0.0068958793]
],
"atom_type": ["Al", "Co1", "Co3"],
"coordinate_mode": "direct",
"atom_properties" : {
"Cmagspin" : {
"value" : [
[-0.0436],
[1.4022],
[1.4022]
]
},
"force": {
"value": [
[0.0000000000, 0.0000000000, -0.0000403663],
[0.0000000000, 0.0000000000, -0.0000699340],
[0.0000000000, 0.0000000000, 0.0001103004]
]
}
},
"lattice_vectors": [
[1.969518678, -1.969518678, -0.000000000],
[1.969518678, 1.969518678, -0.000000000],
[-1.969518678, -0.000000000, 4.341017659]
],
"global_properties": {
"energy": {
"value": -8185.7627955156
},
"Cmagspin" : {
"value" : [
[2.65]
]
}
}
}
