{ "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" [ [ 0.9163946 0.5446671 1.49786 ] [ 0.0084298 2.294234 2.779305 ] [ 1.912564 0.4098673 0.1717336 ] [ 2.851379 0.2549877 2.412214 ] [ 1.718971 2.318251 1.204915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.163945999999999e-11 5.446671e-11 1.49786e-10 ] [ 8.4298e-13 2.294234e-10 2.779305e-10 ] [ 1.912564e-10 4.098673e-11 1.717336e-11 ] [ 2.851379e-10 2.549877e-11 2.412214e-10 ] [ 1.718971e-10 2.318251e-10 1.204915e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.0986803 -3.509117 8.8058235 ] [ -0.0641672 0.3892079 -0.0983638 ] [ 6.4612036 -2.0167499 -10.4081451 ] [ 2.3319574 -0.8739338 1.7612266 ] [ 1.3696864 6.0105929 -0.0605412 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.617986961089611e-08 -5.622225263372177e-09 1.41084846548281e-08 ] [ -1.028071885092048e-10 6.235798031482085e-10 -1.575961819914492e-10 ] [ 1.035198943543668e-08 -3.231189566401837e-09 -1.667568688250159e-08 ] [ 3.736207657763391e-09 -1.400196314022829e-09 2.821796105699264e-09 ] [ 2.194479545987577e-09 9.630031500866297e-09 -9.69976960343208e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -5.772934732689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.249261138322429e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6797338 -0.1547936 1.952035 ] [ 0.1632858 2.1439024 2.3072038 ] [ 1.457169 0.7348186 -0.117035 ] [ 2.8241842 0.6144883 2.649445 ] [ 2.2833655 2.4835915 1.2743788 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.797338000000001e-11 -1.547936e-11 1.952035e-10 ] [ 1.632858e-11 2.1439024e-10 2.3072038e-10 ] [ 1.457169e-10 7.348186e-11 -1.17035e-11 ] [ 2.8241842e-10 6.144883e-11 2.649445e-10 ] [ 2.2833655e-10 2.4835915e-10 1.2743788e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.2e-06 4.88e-05 -2.51e-05 ] [ 2.23e-05 -2.87e-05 7.4e-06 ] [ 3.3e-06 -2.94e-05 2.39e-05 ] [ -1.68e-05 1e-07 -1.22e-05 ] [ -1.3e-05 9.2e-06 5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.729141862799999e-15 7.818621973919999e-14 -4.02146335134e-14 ] [ 3.572853893819999e-14 -4.598246939579999e-14 1.18561070916e-14 ] [ 5.2871828922e-15 -4.710399303959999e-14 3.82920215526e-14 ] [ -2.691656745119999e-14 1.602176634e-16 -1.95465549348e-14 ] [ -2.082829624199999e-14 1.47400250328e-14 9.452842140600001e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }