{ "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" [ [ 2.058884 2.441785 3.519822 ] [ 1.92668 3.148467 1.175123 ] [ 5.519963 2.275692 0.7370638 ] [ 3.694005 1.670931 2.395445 ] [ 3.953137 3.917443 1.57665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.058884e-10 2.441785e-10 3.519822e-10 ] [ 1.92668e-10 3.148467e-10 1.175123e-10 ] [ 5.519963e-10 2.275692e-10 7.370638000000001e-11 ] [ 3.694005e-10 1.670931e-10 2.395445e-10 ] [ 3.953137e-10 3.917443e-10 1.57665e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4356969 0.4838602 2.2884441 ] [ -4.9329064 1.2695895 -2.3636469 ] [ 0.5340075 -0.3387782 -0.0453455 ] [ 4.0199829 -5.7886468 1.1305995 ] [ 2.8146128 4.3739754 -1.0100512 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.902416628535036e-09 7.752295001756123e-10 3.666491635027697e-09 ] [ -7.903387306674693e-09 2.034106614913161e-09 -3.786979803006396e-09 ] [ 8.555743318318559e-10 -5.427825116767066e-10 -7.26514999584864e-11 ] [ 6.440722618395784e-09 -9.274434569028735e-09 1.81142008638817e-09 ] [ 4.509506824764426e-09 7.007881125834329e-09 -1.618280418450985e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.109536 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.100379208873595e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.958672 2.1093169 3.630286 ] [ 1.9141366 3.61798 1.788872 ] [ 5.7356258 2.439717 1.4464326 ] [ 3.5702464 1.4891194 1.9406358 ] [ 3.9739882 3.7981847 0.5978774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.958672e-10 2.1093169e-10 3.630286e-10 ] [ 1.9141366e-10 3.61798e-10 1.788872e-10 ] [ 5.7356258e-10 2.439717e-10 1.4464326e-10 ] [ 3.5702464e-10 1.4891194e-10 1.9406358e-10 ] [ 3.9739882e-10 3.7981847e-10 5.978774000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.63e-05 1.43e-05 3.43e-05 ] [ -2.82e-05 8.3e-06 2.16e-05 ] [ 2.21e-05 1.73e-05 -1.9e-06 ] [ 1.31e-05 -5.34e-05 -2.41e-05 ] [ 2.92e-05 1.34e-05 -2.99e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.815901133504e-14 2.291112567744e-14 5.495465809344e-14 ] [ -4.518138070656001e-14 1.329806595264e-14 3.460701500928e-14 ] [ 3.540810331968e-14 2.771765553984e-14 -3.04413557952e-15 ] [ 2.098851373248e-14 -8.555623155072e-14 -3.861245656128e-14 ] [ 4.678355732736e-14 2.146916671872e-14 -4.790508096192e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.036401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.409097014317374e-18 } }