{ "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" [ [ 1.235296 0.1194615 1.060663 ] [ 0.5951279 1.958954 0.23753 ] [ 0.7849876 2.237774 2.150251 ] [ 2.634784 1.158802 0.6457174 ] [ 2.006718 1.111823 2.877883 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.235296e-10 1.194615e-11 1.060663e-10 ] [ 5.951279e-11 1.958954e-10 2.3753e-11 ] [ 7.849876000000001e-11 2.237774e-10 2.150251e-10 ] [ 2.634784e-10 1.158802e-10 6.457174e-11 ] [ 2.006718e-10 1.111823e-10 2.877883e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.2180281 -25.3966483 3.2193527 ] [ -7.9303157 6.4299798 -17.2034597 ] [ -21.5631755 21.952934 12.6050099 ] [ 32.4282663 7.8188458 -14.4109635 ] [ 15.283253 -10.8051111 15.7900606 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.918849893937541e-08 -4.068991648817582e-08 5.157971672544812e-09 ] [ -1.270576651478335e-08 1.030196339265199e-08 -2.756298115530065e-08 ] [ -3.454801594094127e-08 3.517247790254415e-08 2.019545233311868e-08 ] [ 5.195581054698962e-08 1.252717204560904e-08 -2.308890899312685e-08 ] [ 2.44864708481104e-08 -1.731169653219404e-08 2.529846614276402e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.2069367 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.314896221745707e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.139333 -0.4279837 0.9587961 ] [ 0.6335076 1.9310954 0.2717473 ] [ 0.4302983 2.8369068 2.4964136 ] [ 3.0217957 1.1900512 0.4719308 ] [ 2.031979 1.0567448 2.7731567 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139333e-10 -4.279837000000001e-11 9.587961e-11 ] [ 6.335075999999999e-11 1.9310954e-10 2.717473e-11 ] [ 4.302983e-11 2.8369068e-10 2.4964136e-10 ] [ 3.0217957e-10 1.1900512e-10 4.719308e-11 ] [ 2.031979e-10 1.0567448e-10 2.7731567e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4e-06 6.24e-05 -4.28e-05 ] [ -4.9e-06 -5.84e-05 1.75e-05 ] [ 1.09e-05 -6.8e-06 1.09e-05 ] [ -1.96e-05 -3.06e-05 5.14e-05 ] [ 9.7e-06 3.34e-05 -3.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.408706535999999e-15 9.997582196159998e-14 -6.857315993519999e-14 ] [ -7.850665506599998e-15 -9.35671154256e-14 2.8038091095e-14 ] [ 1.74637253106e-14 -1.08948011112e-14 1.74637253106e-14 ] [ -3.140266202639999e-14 -4.90266050004e-14 8.23518789876e-14 ] [ 1.55411133498e-14 5.351269957559999e-14 -5.9280535458e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.674822 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.710295038050915e-18 } }