{ "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" [ [ 0.7872548 2.971705 2.821442 ] [ 1.838331 0.4014098 1.675971 ] [ 2.974058 1.714847 0.8061894 ] [ 1.598524 2.494897 0.1079685 ] [ 2.930835 1.52262 2.533969 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.872548000000001e-11 2.971705e-10 2.821442e-10 ] [ 1.838331e-10 4.014098e-11 1.675971e-10 ] [ 2.974058e-10 1.714847e-10 8.061894e-11 ] [ 1.598524e-10 2.494897e-10 1.079685e-11 ] [ 2.930835e-10 1.52262e-10 2.533969e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.375816 -1.2458962 -1.360484 ] [ -14.5025397 -14.7089724 -3.1599137 ] [ 19.9101212 -0.1935812 -14.5618005 ] [ -14.4762753 8.0503271 -5.8685168 ] [ 7.6928778 8.0981227 24.950715 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.204300229722573e-09 -1.996145763583561e-09 -2.179735657772467e-09 ] [ -2.323563004956385e-08 -2.356637169527247e-08 -5.062739853885625e-09 ] [ 3.189953070393444e-08 -3.101512728664089e-10 -2.333057631785375e-08 ] [ -2.319354984192451e-08 1.289804586941266e-08 -9.40240041573203e-09 ] [ 1.232534895783134e-08 1.297462286230977e-08 3.997545224524388e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.69207146 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.108820713134922e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8943154 2.6690022 2.586604 ] [ 1.4873508 0.5832452 1.5738104 ] [ 3.4264988 1.5920958 0.5992598 ] [ 1.2553784 2.5412503 0.2172401 ] [ 3.0654593 1.7198852 2.9686257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.943154e-11 2.6690022e-10 2.586604e-10 ] [ 1.4873508e-10 5.832452000000001e-11 1.5738104e-10 ] [ 3.4264988e-10 1.5920958e-10 5.992598e-11 ] [ 1.2553784e-10 2.5412503e-10 2.172401e-11 ] [ 3.0654593e-10 1.7198852e-10 2.9686257e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.02e-05 3.7e-06 2.58e-05 ] [ 3.6e-06 4.2e-06 5.8e-06 ] [ 1.22e-05 1.44e-05 -1.97e-05 ] [ -1.19e-05 -1.27e-05 -3.29e-05 ] [ -3.4e-05 -9.7e-06 2.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.838573394816e-14 5.928053496960001e-15 4.133615681664e-14 ] [ 5.76783583488e-15 6.72914180736e-15 9.292624400640001e-15 ] [ 1.954655477376e-14 2.307134333952e-14 -3.156287942976e-14 ] [ -1.906590178752e-14 -2.034764308416e-14 -5.271161082432e-14 ] [ -5.44740051072e-14 -1.554111322176e-14 3.380592669888e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }