{ "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" [ [ 2.246807 1.041122 2.124463 ] [ 1.267764 1.326115 3.99765 ] [ 2.011294 2.700157 5.439591 ] [ 2.31677 3.176049 2.822929 ] [ 4.533635 0.1687206 2.857812 ] [ 4.258439 2.493804 2.204153 ] [ 4.092776 1.731475 4.602458 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.246807e-10 1.041122e-10 2.124463e-10 ] [ 1.267764e-10 1.326115e-10 3.99765e-10 ] [ 2.011294e-10 2.700157e-10 5.439591000000001e-10 ] [ 2.31677e-10 3.176049e-10 2.822929e-10 ] [ 4.533635000000001e-10 1.687206e-11 2.857812e-10 ] [ 4.258439e-10 2.493804e-10 2.204153e-10 ] [ 4.092776e-10 1.731475e-10 4.602458e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.924855 -3.5522246 -4.0224719 ] [ -5.247508 -3.1727196 0.6273421 ] [ 2.7789149 2.6291453 1.271961 ] [ -4.1716638 4.70073 1.5788567 ] [ -0.7129132 -0.0886487 -0.2724193 ] [ 3.9326694 -0.5078869 -0.6970527 ] [ 1.4956456 -0.0083955 1.5137841 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.083957679429984e-09 -5.691291205950632e-09 -6.444710436004956e-09 ] [ -8.407434635060965e-09 -5.083257167473928e-09 1.005112845863576e-09 ] [ 4.45231248397277e-09 4.212355132346202e-09 2.037906176769389e-09 ] [ -6.683742210197688e-09 7.531399706693185e-09 2.52960729233344e-09 ] [ -1.142212861699715e-09 -1.42030874604313e-10 -4.364638335147014e-10 ] [ 6.300830970015564e-09 -8.137245171905876e-10 -1.116801539405516e-09 ] [ 2.396288413322389e-09 -1.34510738199264e-11 2.425349493958769e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.148683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.067957222171041e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3569632 0.9305764 2.0889586 ] [ 0.7632223 1.360481 3.8407653 ] [ 2.3499077 2.5444203 5.1902371 ] [ 2.0172235 3.2794496 2.9035456 ] [ 4.4552991 0.148643 2.9716863 ] [ 4.2567487 2.5443756 2.3763701 ] [ 4.5281205 1.8294968 4.6774931 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3569632e-10 9.305764e-11 2.0889586e-10 ] [ 7.632223000000001e-11 1.360481e-10 3.8407653e-10 ] [ 2.3499077e-10 2.5444203e-10 5.1902371e-10 ] [ 2.0172235e-10 3.2794496e-10 2.9035456e-10 ] [ 4.455299100000001e-10 1.48643e-11 2.9716863e-10 ] [ 4.2567487e-10 2.5443756e-10 2.3763701e-10 ] [ 4.5281205e-10 1.8294968e-10 4.677493100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.91e-05 5.43e-05 1.64e-05 ] [ 3.07e-05 -3.56e-05 1e-05 ] [ -4.03e-05 4.02e-05 -3.5e-05 ] [ 2.56e-05 -2.88e-05 1.63e-05 ] [ 5.9e-06 -2.19e-05 1.63e-05 ] [ -8.3e-06 2.67e-05 -2.07e-05 ] [ 5.6e-06 -3.49e-05 -3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.060157345728e-14 8.699819050944e-14 2.627569658112e-14 ] [ 4.918682225856e-14 -5.703748770048e-14 1.6021766208e-14 ] [ -6.456771781824e-14 6.440750015616e-14 -5.6076181728e-14 ] [ 4.101572149248001e-14 -4.614268667904e-14 2.611547891904e-14 ] [ 9.45284206272e-15 -3.508766799552e-14 2.611547891904e-14 ] [ -1.329806595264e-14 4.277811577536e-14 -3.316505605055999e-14 ] [ 8.972189076479999e-15 -5.591596406592e-14 -5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.813838 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.494962125351863e-18 } }