{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.743709 2.680969 1.034902 ] [ 2.749822 1.528948 3.390438 ] [ 1.938557 3.742026 2.98984 ] [ 3.932402 1.721019 1.334077 ] [ 5.171354 1.721023 3.429234 ] [ 4.220666 3.803748 1.650722 ] [ 4.237092 3.532846 4.042988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.743709e-10 2.680969e-10 1.034902e-10 ] [ 2.749822e-10 1.528948e-10 3.390438e-10 ] [ 1.938557e-10 3.742026e-10 2.98984e-10 ] [ 3.932402e-10 1.721019e-10 1.334077e-10 ] [ 5.171354e-10 1.721023e-10 3.429234e-10 ] [ 4.220666e-10 3.803748e-10 1.650722e-10 ] [ 4.237092e-10 3.532846e-10 4.042988e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0103895 -1.0435388 -1.7940896 ] [ -0.725006 -0.8720414 1.0270324 ] [ 0.4189764 2.0770584 1.8825967 ] [ 0.4493057 -4.9778367 -2.1201546 ] [ 2.8330848 -5.6065823 0.3314804 ] [ -1.0639728 6.5206135 -0.9510978 ] [ -1.9227776 3.9023274 1.6242324 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.66458140018016e-11 -1.671933468257687e-09 -2.874448412740424e-09 ] [ -1.161587663139725e-09 -1.397164343449701e-09 1.645487300084114e-09 ] [ 6.712741927469492e-10 3.327814408516255e-09 3.016252419135231e-09 ] [ 7.198670881321785e-10 -7.975373582900223e-09 -3.396862132601575e-09 ] [ 4.539102231303843e-09 -8.982735083651093e-09 5.310901471334324e-10 ] [ -1.704672345327114e-09 1.044717450297286e-08 -1.523826659254314e-09 ] [ -3.080629317717934e-09 6.25221772698725e-09 2.602307178025874e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.23762 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.08220650038345e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9664052 2.899913 0.7939178 ] [ 2.8175431 1.4951411 3.6670208 ] [ 1.9068675 3.6919443 3.0665095 ] [ 3.8777433 1.482167 1.3562649 ] [ 5.2362099 1.5307923 3.3889137 ] [ 3.979383 4.0113282 1.5946665 ] [ 4.2094501 3.6192931 4.0049077 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9664052e-10 2.899913000000001e-10 7.939178e-11 ] [ 2.8175431e-10 1.4951411e-10 3.6670208e-10 ] [ 1.9068675e-10 3.6919443e-10 3.0665095e-10 ] [ 3.8777433e-10 1.482167e-10 1.3562649e-10 ] [ 5.236209900000001e-10 1.5307923e-10 3.3889137e-10 ] [ 3.979383e-10 4.0113282e-10 1.5946665e-10 ] [ 4.2094501e-10 3.6192931e-10 4.0049077e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.9e-06 1e-06 4.33e-05 ] [ 3.62e-05 7.7e-06 -2.15e-05 ] [ 9.9e-06 -8.7e-06 -3.53e-05 ] [ 1.36e-05 1.62e-05 8.9e-06 ] [ -5.38e-05 -9.5e-06 1.57e-05 ] [ -2.88e-05 1.3e-06 4.9e-06 ] [ 1.71e-05 -7.9e-06 -1.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.45284206272e-15 1.6021766208e-15 6.937424768064e-14 ] [ 5.799879367296e-14 1.233675998016e-14 -3.44467973472e-14 ] [ 1.586154854592e-14 -1.393893660096e-14 -5.655683471424e-14 ] [ 2.178960204288e-14 2.595526125696e-14 1.425937192512e-14 ] [ -8.619710219904001e-14 -1.52206778976e-14 2.515417294656e-14 ] [ -4.614268667904e-14 2.08282960704e-15 7.850665441919999e-15 ] [ 2.739722021568e-14 -1.265719530432e-14 -2.547460827072e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.361976 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.42256585212907e-18 } }