{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4147919 0.1188417 2.672415 ] [ 0.6892124 1.667561 0.0898235 ] [ 0.5303116 1.702107 2.13154 ] [ 2.147495 1.160279 2.850921 ] [ 1.555523 2.957039 1.141113 ] [ 2.952569 2.336763 2.431712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.147919e-11 1.188417e-11 2.672415e-10 ] [ 6.892124e-11 1.667561e-10 8.98235e-12 ] [ 5.303116e-11 1.702107e-10 2.13154e-10 ] [ 2.147495e-10 1.160279e-10 2.850921e-10 ] [ 1.555523e-10 2.957039e-10 1.141113e-10 ] [ 2.952569e-10 2.336763e-10 2.431712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.8573639 -34.3361205 11.041739 ] [ -6.0715586 -8.6619905 -17.0783665 ] [ -23.3588808 24.1081819 -1.9589674 ] [ -9.4692832 -49.4282166 25.923778 ] [ 9.248087 23.4280247 -6.2173298 ] [ 38.5089995 44.8901211 -11.7108534 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.419106147941511e-08 -5.501252996730839e-08 1.769081622452652e-08 ] [ -9.72770932088175e-09 -1.387803878302998e-08 -2.736255975318836e-08 ] [ -3.742505301415123e-08 3.862556572840172e-08 -3.138611795047731e-09 ] [ -1.517146428376875e-08 -7.919273369681091e-08 4.153447137660324e-08 ] [ 1.481706890059916e-08 3.753583375511486e-08 -9.961260531431891e-09 ] [ 6.169821919761768e-08 7.192190312385037e-08 -1.876285568167945e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 19.909687 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.189883530165356e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6651619 -0.4373414 2.5945862 ] [ 0.4335545 1.8275495 -0.2288917 ] [ 0.0227454 1.8244193 2.1319442 ] [ 1.9456352 1.2646896 3.5885755 ] [ 1.7404951 3.2707015 1.0878373 ] [ 3.4823107 2.1925722 2.143473 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.651619e-11 -4.373414e-11 2.5945862e-10 ] [ 4.335545e-11 1.8275495e-10 -2.288917e-11 ] [ 2.27454e-12 1.8244193e-10 2.1319442e-10 ] [ 1.9456352e-10 1.2646896e-10 3.5885755e-10 ] [ 1.7404951e-10 3.2707015e-10 1.0878373e-10 ] [ 3.482310700000001e-10 2.1925722e-10 2.143473e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.8e-06 -4.33e-05 -1.45e-05 ] [ 1.07e-05 5.2e-06 2.03e-05 ] [ -8.2e-06 9.3e-06 -9.8e-06 ] [ -7.8e-06 2.73e-05 3.77e-05 ] [ -2.92e-05 3.02e-05 -2.22e-05 ] [ 3.62e-05 -2.87e-05 -1.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.8839179412e-15 -6.93742482522e-14 -2.3231561193e-14 ] [ 1.71432899838e-14 8.331318496799998e-15 3.252418567019999e-14 ] [ -1.31378483988e-14 1.49002426962e-14 -1.57013310132e-14 ] [ -1.24969777452e-14 4.37394221082e-14 6.040205910179999e-14 ] [ -4.67835577128e-14 4.838573434679999e-14 -3.55683212748e-14 ] [ 5.799879415079998e-14 -4.598246939579999e-14 -1.8425031291e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.269205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.766831673875597e-18 } }