{ "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" [ [ 2.990348 2.100415 1.411886 ] [ 2.946969 3.752547 2.888488 ] [ 5.496135 2.06422 2.457996 ] [ 4.937229 4.674633 2.559339 ] [ 4.468449 3.37128 4.359326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.990348e-10 2.100415e-10 1.411886e-10 ] [ 2.946969e-10 3.752547e-10 2.888488e-10 ] [ 5.496135e-10 2.06422e-10 2.457996e-10 ] [ 4.937229e-10 4.674633e-10 2.559339e-10 ] [ 4.468449e-10 3.37128e-10 4.359326000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8166253 -5.9370936 -4.7466138 ] [ -25.0569139 3.9686931 -4.6762693 ] [ 0.4788011 -0.9382142 -1.2292297 ] [ 14.729855 13.2429641 -12.4658947 ] [ 9.0316325 -10.3363495 23.1180075 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.308377963613786e-09 -9.512272561421307e-09 -7.604913658326649e-09 ] [ -4.014560163997855e-08 6.358547299950276e-09 -7.492209345024782e-09 ] [ 7.671239284333228e-10 -1.503184856542575e-09 -1.969443086932998e-09 ] [ 2.359982930877398e-08 2.121756747111371e-08 -1.997256504569463e-08 ] [ 1.447027043915746e-08 -1.656065751331777e-08 3.703913113597906e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.8006724 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.249805494579983e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0881681 1.892535 1.4459967 ] [ 2.6738958 3.9471073 2.8618532 ] [ 5.4376235 2.1682296 2.3413132 ] [ 5.1349299 4.7818711 2.439038 ] [ 4.5045128 3.173352 4.5888338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0881681e-10 1.892535e-10 1.4459967e-10 ] [ 2.6738958e-10 3.9471073e-10 2.8618532e-10 ] [ 5.4376235e-10 2.1682296e-10 2.3413132e-10 ] [ 5.1349299e-10 4.7818711e-10 2.439038e-10 ] [ 4.5045128e-10 3.173352e-10 4.5888338e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.78e-05 1.43e-05 3.38e-05 ] [ 5.4e-06 -9.6e-06 7.8e-06 ] [ -1.09e-05 1.8e-06 8.1e-06 ] [ 6.4e-06 5.9e-06 3e-07 ] [ -1.86e-05 -1.23e-05 -5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.851874385024e-14 2.291112567744e-14 5.415356978304e-14 ] [ 8.65175375232e-15 -1.538089555968e-14 1.249697764224e-14 ] [ -1.746372516672e-14 2.88391791744e-15 1.297763062848e-14 ] [ 1.025393037312e-14 9.45284206272e-15 4.8065298624e-16 ] [ -2.980048514688e-14 -1.970677243584e-14 -8.010883104e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.879291 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.544142879507986e-18 } }