{ "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" [ [ 4.689738 0.2483182 3.1619154 ] [ -10.1232132 -2.1726265 -1.4859815 ] [ 0.309186 2.8538321 1.2337704 ] [ 0.9347081 -4.3184269 -7.8781227 ] [ 10.0124901 -2.4661686 2.7068446 ] [ -5.415036 0.6137848 -1.8565692 ] [ -0.4078731 5.241287 4.1181429 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.513788581277352e-09 3.978496145591385e-10 5.065946930827481e-09 ] [ -1.621917551641396e-08 -3.480931384030531e-09 -2.380804818241315e-09 ] [ 4.953705806786688e-10 4.572343070308568e-09 1.976718090315064e-09 ] [ 1.497567465092389e-09 -6.91888261781382e-09 -1.262214400573377e-08 ] [ 1.604177755421146e-08 -3.951237673871067e-09 4.336843134258728e-09 ] [ -8.675844079990348e-09 9.83391656762404e-10 -2.97455176713736e-09 ] [ -6.534847450732205e-10 8.39746749430297e-09 6.597992275493512e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.023792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.688818126456208e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8698925 2.5585384 1.0983389 ] [ 2.7079481 1.6534598 3.2963526 ] [ 1.8802926 4.0283718 3.1303387 ] [ 4.1581395 1.5175142 1.2265708 ] [ 5.2876483 1.4325341 3.4429603 ] [ 3.9170297 3.9705572 1.6141072 ] [ 4.1726512 3.5696035 4.0635326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8698925e-10 2.5585384e-10 1.0983389e-10 ] [ 2.7079481e-10 1.6534598e-10 3.2963526e-10 ] [ 1.8802926e-10 4.0283718e-10 3.1303387e-10 ] [ 4.1581395e-10 1.5175142e-10 1.2265708e-10 ] [ 5.287648300000001e-10 1.4325341e-10 3.4429603e-10 ] [ 3.9170297e-10 3.9705572e-10 1.6141072e-10 ] [ 4.1726512e-10 3.5696035e-10 4.0635326e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.78e-05 -2.08e-05 6.3e-06 ] [ -7.9e-05 5.7e-06 -2.8e-06 ] [ 1.78e-05 -3.31e-05 -3.36e-05 ] [ 4.52e-05 -5.56e-05 -2.01e-05 ] [ 4.78e-05 -9.62e-05 6.95e-05 ] [ -6.66e-05 0.0001672 4.98e-05 ] [ 6.27e-05 3.29e-05 -6.9e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.454051005824e-14 -3.332527371264e-14 1.009371271104e-14 ] [ -1.265719530432e-13 9.13240673856e-15 -4.48609453824e-15 ] [ 2.851874385024e-14 -5.303204614848e-14 -5.383313445888e-14 ] [ 7.241838326016e-14 -8.908102011648e-14 -3.220375007808e-14 ] [ 7.658404247424001e-14 -1.5412939092096e-13 1.113512751456e-13 ] [ -1.0670496294528e-13 2.6788393099776e-13 7.978839571583999e-14 ] [ 1.0045647412416e-13 5.271161082432e-14 -1.105501868352e-13 ] ] } "relaxed-potential-energy" { "source-value" -27.211343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.359737757516974e-18 } }