{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9641287 -2.2855197 -2.6205311 ] [ 1.669066 1.0860414 0.0054411 ] [ -0.6096336 -0.7996258 0.5483858 ] [ -2.1347665 -1.3011423 -2.0820631 ] [ 0.7473322 2.1918692 2.0603625 ] [ -0.2609207 -0.5872927 0.2529567 ] [ 2.5530514 1.6956698 1.8354479 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.146881083382297e-09 -3.66180622971783e-09 -4.198553662499307e-09 ] [ 2.674138523772173e-09 1.740030140300901e-09 8.71760321143488e-12 ] [ -9.76740701174139e-10 -1.281141762148497e-09 8.786109079387047e-10 ] [ -3.420272977167044e-09 -2.08465977339394e-09 -3.335832821850373e-09 ] [ 1.19735817881103e-09 3.5117615880916e-09 3.30106462787304e-09 ] [ -4.180410454227706e-10 -9.409466335065082e-10 4.052813108147194e-10 ] [ 4.09043926478071e-09 2.716762510156612e-09 2.940711714076456e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.76585 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.487273600183968e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8243097 2.8511031 1.787887 ] [ 2.731133 0.904801 2.853381 ] [ 2.4771881 3.0275828 4.0875195 ] [ 4.7346051 1.3955525 1.6323335 ] [ 4.6824756 1.9245901 3.9696631 ] [ 3.9515898 3.5384729 1.0433653 ] [ 4.3994928 4.1969094 3.2610093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8243097e-10 2.8511031e-10 1.787887e-10 ] [ 2.731133e-10 9.04801e-11 2.853381e-10 ] [ 2.4771881e-10 3.0275828e-10 4.0875195e-10 ] [ 4.734605099999999e-10 1.3955525e-10 1.6323335e-10 ] [ 4.6824756e-10 1.9245901e-10 3.9696631e-10 ] [ 3.9515898e-10 3.5384729e-10 1.0433653e-10 ] [ 4.3994928e-10 4.1969094e-10 3.2610093e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.38e-05 8.5e-06 1.95e-05 ] [ 3.3e-06 3.8e-06 1.28e-05 ] [ -1.6e-05 -4e-07 8.7e-06 ] [ 4e-07 4.3e-06 1.3e-06 ] [ -1.55e-05 1e-07 -2.39e-05 ] [ -7.1e-06 -3e-07 -1.07e-05 ] [ -1.9e-05 -1.61e-05 -7.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.619710219904001e-14 1.36185012768e-14 3.12424441056e-14 ] [ 5.28718284864e-15 6.08827115904e-15 2.050786074624e-14 ] [ -2.56348259328e-14 -6.408706483200001e-16 1.393893660096e-14 ] [ 6.408706483200001e-16 6.889359469440001e-15 2.08282960704e-15 ] [ -2.48337376224e-14 1.6021766208e-16 -3.829202123712e-14 ] [ -1.137545400768e-14 -4.8065298624e-16 -1.714328984256e-14 ] [ -3.04413557952e-14 -2.579504359488e-14 -1.249697764224e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }