Schema ID: https://chemedata.github.io/schema/v1/schema/atomicPropertySpin_CSA.json
Property | Type | Schema Reference | Required |
---|---|---|---|
molAtomIndicesFull | array | int | ❌ No |
molAtomIndices | array | int | ❌ No |
spinSystemIndices | array | int | ❌ No |
typeVariableString | string | - | ✅ Yes |
value | number | - | ❌ No |
tensorValues | tensor | - | ❌ No |
diagTensorValues | diagTensor | - | ✅ Yes |
diagTensorRotationMatrix | diagTensor | - | ❌ No |
labelVarSet | string | - | ❌ No |