{ "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" [ [ 2.476712 2.310837 1.57832 ] [ 2.970546 4.476183 1.171414 ] [ 2.629523 3.538885 3.808943 ] [ 5.406765 3.077785 1.539132 ] [ 4.254834 1.46676 3.134429 ] [ 4.456572 4.8029 2.877728 ] [ 4.871099 3.222036 4.56833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.476712e-10 2.310837e-10 1.57832e-10 ] [ 2.970546e-10 4.476183e-10 1.171414e-10 ] [ 2.629523e-10 3.538885e-10 3.808943e-10 ] [ 5.406765000000001e-10 3.077785e-10 1.539132e-10 ] [ 4.254834e-10 1.46676e-10 3.134429e-10 ] [ 4.456572000000001e-10 4.8029e-10 2.877728e-10 ] [ 4.871099000000001e-10 3.222036e-10 4.56833e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.825394 -1.5054716 0.4679209 ] [ 1.0307225 -0.573425 0.0802927 ] [ -2.9748782 -0.5285442 -1.355396 ] [ -2.9509212 -0.2053193 -0.1520841 ] [ -0.6661882 -0.1967446 -1.5812937 ] [ 1.9286176 3.9771851 -0.6398841 ] [ 2.8072535 -0.9676804 3.1804443 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.322426980643796e-09 -2.412031420670594e-09 7.496919325402505e-10 ] [ 1.651399505638065e-09 -9.187281363514498e-10 1.286430878207718e-10 ] [ -4.766280341035979e-09 -8.468211672762228e-10 -2.171583801017064e-09 ] [ -4.727896995415239e-09 -3.289577849692361e-10 -2.436655914229194e-10 ] [ -1.067351167886519e-09 -3.152196009856764e-10 -2.533511817631406e-09 ] [ 3.089986054641158e-09 6.372153036312952e-09 -1.025207353488119e-09 ] [ 4.497715963414718e-09 -1.550394926059773e-09 5.095633543198485e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.395466 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.588149233274144e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.692803 2.1119052 1.416048 ] [ 3.0111428 4.5202348 1.2555341 ] [ 2.6802554 3.4882766 3.5789953 ] [ 5.0529023 3.0532604 1.7576542 ] [ 3.9965821 1.30509 3.3071735 ] [ 4.5116671 5.2018419 3.0474541 ] [ 5.1206983 3.2147772 4.3154367 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.692803e-10 2.1119052e-10 1.416048e-10 ] [ 3.0111428e-10 4.5202348e-10 1.2555341e-10 ] [ 2.6802554e-10 3.4882766e-10 3.5789953e-10 ] [ 5.0529023e-10 3.0532604e-10 1.7576542e-10 ] [ 3.9965821e-10 1.30509e-10 3.307173500000001e-10 ] [ 4.5116671e-10 5.2018419e-10 3.0474541e-10 ] [ 5.1206983e-10 3.2147772e-10 4.315436700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.84e-05 3.57e-05 6e-06 ] [ 3.97e-05 -5.73e-05 5.5e-06 ] [ -2.1e-06 6.5e-06 4.08e-05 ] [ -8.07e-05 2.13e-05 0.0001031 ] [ 1.26e-05 5.49e-05 -4.36e-05 ] [ -4e-06 -3.92e-05 -3.6e-05 ] [ -1.4e-05 -2.2e-05 -7.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.754534908559998e-14 5.719770583379999e-14 9.613059803999999e-15 ] [ 6.36064123698e-14 -9.180472112819998e-14 8.811971486999999e-15 ] [ -3.364570931399999e-15 1.0414148121e-14 6.53688066672e-14 ] [ -1.292956543638e-13 3.41263623042e-14 1.651844109654e-13 ] [ 2.01874255884e-14 8.795949720659999e-14 -6.985490124239999e-14 ] [ -6.408706535999999e-15 -6.280532405279998e-14 -5.7678358824e-14 ] [ -2.243047287599999e-14 -3.5247885948e-14 -1.214449888572e-13 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }