{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.7931629 1.8687206 -7.2305054 ] [ -3.5548821 -4.1274821 11.6762992 ] [ 4.8043411 -6.7358236 -6.9645263 ] [ -2.316857 11.9549996 -6.027713 ] [ 10.860561 -2.9604145 8.5464456 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.569037664206593e-08 2.994020456127349e-09 -1.158454670844815e-08 ] [ -5.695548990320408e-09 -6.612955323390487e-09 1.870749359570574e-08 ] [ 7.697402988768555e-09 -1.079197909375289e-08 -1.115840121280673e-08 ] [ -3.712014119136826e-09 1.915402086079335e-08 -9.65746084549223e-09 ] [ 1.740053692297227e-08 -4.743106899777322e-09 1.369291533125903e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 43.143213 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.912304721479464e-18 } "relaxed-configuration-positions" { "source-value" [ [ -3.5671462 1.043919 -0.868558 ] [ -0.9627929 -0.9118042 5.7204472 ] [ 3.0346629 -2.1569792 -1.4162991 ] [ 1.9166327 5.7960171 0.3011564 ] [ 5.9443536 1.2513317 4.441905 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.5671462e-10 1.043919e-10 -8.68558e-11 ] [ -9.627928999999999e-11 -9.118042e-11 5.7204472e-10 ] [ 3.0346629e-10 -2.1569792e-10 -1.4162991e-10 ] [ 1.9166327e-10 5.7960171e-10 3.011564e-11 ] [ 5.944353600000001e-10 1.2513317e-10 4.441905e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 -0.0 -0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 0.0 0.0 ] [ -0.0 0.0 -0.0 ] [ 0.0 -0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 0.0 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 0.0 } }