{ "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" [ [ -0.3487501 -0.6112461 -1.4178051 ] [ -1.2999053 -1.6693582 1.1838062 ] [ -0.5345238 1.3633001 1.4331606 ] [ 0.3324661 -2.9723833 -1.9138299 ] [ 1.5796142 -2.3561317 -0.2291777 ] [ 0.7254886 3.3686246 -0.319268 ] [ -0.4543896 2.8771947 1.2631139 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.58759256721662e-10 -9.79324210975179e-10 -2.271574184071006e-09 ] [ -2.08267788091401e-09 -2.674606679780771e-09 1.896666617198089e-09 ] [ -8.56401535621175e-10 2.184247547354302e-09 2.2961764071717e-09 ] [ 5.326694126285549e-10 -4.762283031316352e-09 -3.066293521968002e-09 ] [ 2.530820941123695e-09 -3.77493912526576e-09 -3.671831529487162e-10 ] [ 1.162360873576923e-09 5.397131578371752e-09 -5.115237253695744e-10 ] [ -7.280123938546637e-10 4.60977408182967e-09 2.023731559987509e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.218216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.59844465062845e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0939385 2.6171062 1.2752375 ] [ 2.2785491 1.2523039 3.4457101 ] [ 1.994849 3.6381258 3.632233 ] [ 4.489081 1.6971292 1.1182554 ] [ 4.605282 1.5493817 3.4563585 ] [ 4.2053717 4.0829492 1.3047786 ] [ 4.3265306 3.893583 3.6396278 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0939385e-10 2.6171062e-10 1.2752375e-10 ] [ 2.2785491e-10 1.2523039e-10 3.4457101e-10 ] [ 1.994849e-10 3.6381258e-10 3.632233e-10 ] [ 4.489081e-10 1.6971292e-10 1.1182554e-10 ] [ 4.605282e-10 1.5493817e-10 3.4563585e-10 ] [ 4.2053717e-10 4.0829492e-10 1.3047786e-10 ] [ 4.3265306e-10 3.893583e-10 3.6396278e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.3e-06 -1.8e-06 6.6e-06 ] [ -8e-06 3.5e-06 6.3e-06 ] [ -1.96e-05 -6e-07 9.4e-06 ] [ 1.17e-05 -7.4e-06 -7.3e-06 ] [ 6.6e-06 -1.15e-05 -9.9e-06 ] [ 1.47e-05 5.4e-06 -1.1e-06 ] [ -1.2e-06 1.23e-05 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.889359469440001e-15 -2.88391791744e-15 1.057436569728e-14 ] [ -1.28174129664e-14 5.6076181728e-15 1.009371271104e-14 ] [ -3.140266176767999e-14 -9.6130597248e-16 1.506046023552e-14 ] [ 1.874546646336e-14 -1.185610699392e-14 -1.169588933184e-14 ] [ 1.057436569728e-14 -1.84250311392e-14 -1.586154854592e-14 ] [ 2.355199632576e-14 8.65175375232e-15 -1.76239428288e-15 ] [ -1.92261194496e-15 1.970677243584e-14 -6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.320543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.93527456749611e-18 } }