{ "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" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9045219 -24.5890158 -2.9564296 ] [ -41.9218935 6.3831815 -49.1678707 ] [ -14.5161626 17.3963337 33.2956475 ] [ 1.9179832 -3.6854502 -10.4416384 ] [ 12.9137895 -60.7549263 26.8764412 ] [ 47.5108052 65.2498771 2.39385 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.460086945181594e-09 -3.939594624324181e-08 -4.736722386161095e-09 ] [ -6.71662776653675e-08 1.022698416562307e-08 -7.877561293005733e-08 ] [ -2.325745634145134e-08 2.787199914177516e-08 5.334550799889797e-08 ] [ 3.072947842127171e-09 -5.904742147562684e-09 -1.672934892732752e-08 ] [ 2.069017162283252e-08 -9.734012251628705e-08 4.306080574094589e-08 ] [ 7.612070132682308e-08 1.045418275996933e-07 3.83537050370208e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 38.639549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.190738204605602e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9984833 0.4009714 3.4277833 ] [ 1.4491871 3.0156884 0.5371373 ] [ 0.3639687 2.6199655 2.7965443 ] [ 2.6283438 0.9953121 0.0344659 ] [ 3.1120606 0.6806055 2.3518116 ] [ 2.8519039 3.1150355 2.6532565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.984833e-11 4.009714e-11 3.4277833e-10 ] [ 1.4491871e-10 3.0156884e-10 5.371373000000001e-11 ] [ 3.639687e-11 2.6199655e-10 2.7965443e-10 ] [ 2.6283438e-10 9.953121e-11 3.44659e-12 ] [ 3.1120606e-10 6.806055e-11 2.3518116e-10 ] [ 2.8519039e-10 3.1150355e-10 2.6532565e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.4e-06 1.7e-06 -1.5e-06 ] [ 1e-07 6.9e-06 4.3e-06 ] [ 1.23e-05 -6.3e-06 -1.9e-05 ] [ -1.43e-05 6.3e-06 6.8e-06 ] [ -0.0 7e-07 1.21e-05 ] [ -6.5e-06 -9.3e-06 -2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.345828361472e-14 2.72370025536e-15 -2.4032649312e-15 ] [ 1.6021766208e-16 1.105501868352e-14 6.889359469440001e-15 ] [ 1.970677243584e-14 -1.009371271104e-14 -3.04413557952e-14 ] [ -2.291112567744e-14 1.009371271104e-14 1.089480102144e-14 ] [ 0.0 1.12152363456e-15 1.938633711168e-14 ] [ -1.04141480352e-14 -1.490024257344e-14 -4.32587687616e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.521764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.326643077357509e-18 } }