{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4285327 0.5497128 -0.7203639 ] [ 0.4394754 2.8328753 1.0547814 ] [ 2.6085317 2.9657579 -3.0888124 ] [ 1.2847529 -4.7297201 0.8490757 ] [ 0.3549365 -1.1535164 4.2923054 ] [ -4.5674607 0.6441635 -1.1234402 ] [ -0.5487685 -1.109273 -1.263546 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.865850788449317e-10 8.80737003570715e-10 -1.154150208557112e-09 ] [ 7.041172170978035e-10 4.538766612695739e-09 1.689946113057807e-09 ] [ 4.179328538788297e-09 4.751668009480908e-09 -4.948823054089461e-09 ] [ 2.058401076843738e-09 -7.577847029580142e-09 1.360369247037194e-09 ] [ 5.686709668537409e-10 -1.848137023015797e-09 6.877031417872023e-09 ] [ -7.317878810253283e-09 1.032063708175659e-09 -1.799949638136287e-09 ] [ -8.792240681752289e-10 -1.777251281327082e-09 -2.024423877184164e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.907227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.150795375113391e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.89278 2.167274 1.6496918 ] [ 2.4794432 2.407047 3.9643883 ] [ 2.5485856 4.3735037 0.9236187 ] [ 1.8807237 4.4734247 3.1332162 ] [ 4.6625788 2.0067235 3.2173669 ] [ 4.6745453 3.7683523 1.6703249 ] [ 4.0702965 4.1884879 3.9160941 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.89278e-10 2.167274e-10 1.6496918e-10 ] [ 2.4794432e-10 2.407047e-10 3.9643883e-10 ] [ 2.5485856e-10 4.3735037e-10 9.236187e-11 ] [ 1.8807237e-10 4.4734247e-10 3.1332162e-10 ] [ 4.662578800000001e-10 2.0067235e-10 3.2173669e-10 ] [ 4.6745453e-10 3.7683523e-10 1.6703249e-10 ] [ 4.0702965e-10 4.1884879e-10 3.9160941e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.49e-05 6.29e-05 5.17e-05 ] [ -3.54e-05 -2.31e-05 1.39e-05 ] [ -5.6e-06 -1.73e-05 3.05e-05 ] [ -4.6e-06 -3.64e-05 -8.14e-05 ] [ 1.89e-05 1.94e-05 -6.67e-05 ] [ 2.38e-05 -3.38e-05 -1.5e-06 ] [ 2.78e-05 2.84e-05 5.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.989419818659999e-14 1.007769102786e-13 8.28325319778e-14 ] [ -5.671705284359999e-14 -3.70102802454e-14 2.22702552126e-14 ] [ -8.972189150399999e-15 -2.77176557682e-14 4.886638733699999e-14 ] [ -7.370012516399999e-15 -5.831922947759999e-14 -1.304171780076e-13 ] [ 3.02811383826e-14 3.10822266996e-14 -1.068651814878e-13 ] [ 3.81318038892e-14 -5.415357022919999e-14 -2.403264951e-15 ] [ 4.454051042519999e-14 4.550181640559999e-14 8.571644991899998e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.337723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.860639091936438e-18 } }