{ "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" [ [ 0.0066411 1.299857 0.8298456 ] [ 0.9999642 1.240181 2.737035 ] [ 2.654666 1.132969 0.0147569 ] [ 2.745471 0.2375767 2.196855 ] [ 1.997397 2.884463 1.181944 ] [ 2.106064 2.994709 2.966195 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.6411e-13 1.299857e-10 8.298456e-11 ] [ 9.999642e-11 1.240181e-10 2.737035e-10 ] [ 2.654666e-10 1.132969e-10 1.47569e-12 ] [ 2.745471000000001e-10 2.375767e-11 2.196855e-10 ] [ 1.997397e-10 2.884463e-10 1.181944e-10 ] [ 2.106064e-10 2.994709e-10 2.966195e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7365554 0.7839915 -5.4090909 ] [ -10.7287616 -3.5905199 10.5335799 ] [ 2.3886195 -2.7724987 -3.4950581 ] [ 9.8470213 -7.5040831 -1.0009459 ] [ -0.9470684 5.9523822 -22.9545949 ] [ 4.1767445 7.1307281 22.3261099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.588798325003994e-09 1.256092852205923e-09 -8.66631897976203e-09 ] [ -1.71893710056568e-08 -5.752647040297153e-09 1.68766554491088e-08 ] [ 3.826990318886985e-09 -4.442032598338392e-09 -5.599700376157668e-09 ] [ 1.577666731137962e-08 -1.202286650336039e-08 -1.603692119665615e-09 ] [ -1.517370848778463e-09 9.53676759890607e-09 -3.677731528871492e-08 ] [ 6.691882388954986e-09 1.142468585110161e-08 3.577037131519143e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.2336298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.18084606588218e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1965392 1.4773271 0.7494745 ] [ 0.9055991 0.9858075 3.0605558 ] [ 2.5717605 0.9793971 0.0509557 ] [ 2.8802457 -0.0716745 2.1918034 ] [ 1.9409386 3.3033874 0.7387619 ] [ 2.0151203 3.115511 3.1350801 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.965392e-11 1.4773271e-10 7.494745000000001e-11 ] [ 9.055991000000001e-11 9.858075e-11 3.0605558e-10 ] [ 2.5717605e-10 9.793971e-11 5.09557e-12 ] [ 2.8802457e-10 -7.16745e-12 2.1918034e-10 ] [ 1.9409386e-10 3.3033874e-10 7.387619e-11 ] [ 2.0151203e-10 3.115511e-10 3.1350801e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.6e-06 1.6e-06 -1.23e-05 ] [ 9e-07 7e-07 4.3e-06 ] [ 1.3e-06 -2.4e-06 -3.8e-06 ] [ 6.3e-06 -7.2e-06 2.3e-06 ] [ -3e-06 -5e-07 -2.1e-06 ] [ 3e-06 7.8e-06 1.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.377871893888e-14 2.56348259328e-15 -1.970677243584e-14 ] [ 1.44195895872e-15 1.12152363456e-15 6.889359469440001e-15 ] [ 2.08282960704e-15 -3.84522388992e-15 -6.08827115904e-15 ] [ 1.009371271104e-14 -1.153567166976e-14 3.68500622784e-15 ] [ -4.8065298624e-15 -8.010883104e-16 -3.36457090368e-15 ] [ 4.8065298624e-15 1.249697764224e-14 1.858524880128e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.770586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.366508756471579e-18 } }