{ "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" [ [ -1.1846905 -5.5988717 0.6499912 ] [ -0.8073674 3.7814112 -3.5916702 ] [ -6.3265779 -0.9731124 1.2014692 ] [ 0.4803441 -1.7593199 -1.2474405 ] [ -0.4252854 -3.1395501 -1.788413 ] [ 4.5883708 8.2012288 1.2636129 ] [ 3.6752063 -0.5117859 3.5124504 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.898083437621777e-09 -8.970381414503857e-09 1.041400712945621e-09 ] [ -1.293545183333331e-09 6.0584886681859e-09 -5.754490071474105e-09 ] [ -1.013629528456079e-08 -1.559097949535661e-09 1.924965878710673e-09 ] [ 7.695960932997593e-10 -2.818741235511216e-09 -1.998620021405277e-09 ] [ -6.813823306613435e-10 -5.030113811492363e-09 -2.865353520541842e-09 ] [ 7.351380483887886e-09 1.313981715344786e-08 2.024531062800978e-09 ] [ 5.888329658989593e-09 -8.199714105906605e-10 5.627565958963953e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.414003 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.95024853450059e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3330755 2.0247439 2.119411 ] [ 3.0876304 4.2399393 1.1462773 ] [ 2.3588061 4.019619 3.6824966 ] [ 5.4197688 3.2647107 1.3292628 ] [ 4.6385346 1.3861502 2.7264436 ] [ 4.7494825 4.979981 3.0705248 ] [ 4.4787531 2.9802418 4.6038798 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3330755e-10 2.0247439e-10 2.119411e-10 ] [ 3.0876304e-10 4.2399393e-10 1.1462773e-10 ] [ 2.3588061e-10 4.019619e-10 3.6824966e-10 ] [ 5.4197688e-10 3.2647107e-10 1.3292628e-10 ] [ 4.6385346e-10 1.3861502e-10 2.7264436e-10 ] [ 4.749482500000001e-10 4.979981000000001e-10 3.0705248e-10 ] [ 4.4787531e-10 2.9802418e-10 4.6038798e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.03e-05 4.1e-06 -5.5e-06 ] [ -4.6e-06 -8.5e-06 -1.1e-06 ] [ 2.4e-06 -5.1e-06 4.1e-06 ] [ -5.9e-06 -2.9e-06 1.4e-05 ] [ -9.3e-06 3.3e-06 -9.9e-06 ] [ 5.8e-06 5e-07 -7e-07 ] [ 1.3e-06 8.6e-06 -9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.65024193302e-14 6.568924199399999e-15 -8.811971486999999e-15 ] [ -7.370012516399999e-15 -1.3618501389e-14 -1.7623942974e-15 ] [ 3.845223921599999e-15 -8.1711008334e-15 6.568924199399999e-15 ] [ -9.452842140600001e-15 -4.6463122386e-15 2.243047287599999e-14 ] [ -1.49002426962e-14 5.2871828922e-15 -1.58615486766e-14 ] [ 9.2926244772e-15 8.010883169999999e-16 -1.1215236438e-15 ] [ 2.0828296242e-15 1.37787190524e-14 -1.4419589706e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }