{ "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" [ [ 0.5308739 0.2525778 2.81745 ] [ 0.4737551 1.568741 0.832487 ] [ 2.312512 2.941662 0.559243 ] [ 2.76942 1.516894 1.016982 ] [ 2.535548 1.814472 2.698768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308739e-11 2.525778e-11 2.81745e-10 ] [ 4.737551e-11 1.568741e-10 8.32487e-11 ] [ 2.312512e-10 2.941662e-10 5.592430000000001e-11 ] [ 2.76942e-10 1.516894e-10 1.016982e-10 ] [ 2.535548e-10 1.814472e-10 2.698768e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5902366 -1.5071066 0.4853107 ] [ -13.3139832 -1.6273406 -4.2499517 ] [ -13.3751251 53.0090879 -16.2706424 ] [ 27.5884782 -58.3483604 -18.909865 ] [ -0.3091333 8.4737197 38.9451484 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.456632812604813e-10 -2.414650959573377e-09 7.775534573640826e-10 ] [ -2.133135261276397e-08 -2.607287063398644e-09 -6.809173253269216e-09 ] [ -2.142931273549526e-08 8.492992132331217e-08 -2.60684428586772e-08 ] [ 4.420161477549047e-08 -9.348437889489253e-08 -3.029694360548419e-08 ] [ -4.952861459707526e-10 1.357639559455239e-08 6.239700626006653e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 22.482973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.602169370667764e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.365314 0.2126775 2.7291504 ] [ -0.0347784 1.9895953 1.4749421 ] [ 2.3487807 2.4942215 -0.3649628 ] [ 3.7524759 2.0741127 0.7861506 ] [ 2.1903167 1.3237398 3.2996497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.65314e-11 2.126775e-11 2.7291504e-10 ] [ -3.47784e-12 1.9895953e-10 1.4749421e-10 ] [ 2.3487807e-10 2.4942215e-10 -3.649628e-11 ] [ 3.7524759e-10 2.0741127e-10 7.861506e-11 ] [ 2.1903167e-10 1.3237398e-10 3.2996497e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.64e-05 3.1e-05 -5.54e-05 ] [ 0.0001085 1.67e-05 7.3e-06 ] [ -0.0001062 -1.3e-05 -4.68e-05 ] [ -2.7e-05 -3.23e-05 9.21e-05 ] [ -4.17e-05 -2.4e-06 2.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0638452762112e-13 4.96674752448e-14 -8.876058479231999e-14 ] [ 1.738361633568e-13 2.675634956736e-14 1.169588933184e-14 ] [ -1.7015115712896e-13 -2.08282960704e-14 -7.498186585344001e-14 ] [ -4.32587687616e-14 -5.175030485184e-14 1.4756046677568e-13 ] [ -6.681076508736e-14 -3.84522388992e-15 4.48609453824e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.919261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.031199765701323e-18 } }