{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9159424 0.8981848 2.4648748 ] [ 4.9573594 4.299647 1.9768988 ] [ -1.7131728 -1.033361 -2.4839289 ] [ -1.1204216 -6.7964737 -2.7471304 ] [ -2.819189 -7.0109052 4.2751825 ] [ 2.1427102 10.0817212 0.1965088 ] [ -2.3632287 -0.4388132 -3.6824057 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.467501499279442e-09 1.439050687717924e-09 3.949164777759076e-09 ] [ 7.942565331583115e-09 6.888793901092859e-09 3.167341039047575e-09 ] [ -2.744805407550474e-09 -1.655626835046509e-09 -3.979692811309461e-09 ] [ -1.795113292959329e-09 -1.088915126602207e-08 -4.401388101168953e-09 ] [ -4.516838705416532e-09 -1.123270840208515e-08 6.849597451153296e-09 ] [ 3.433000187589692e-09 1.615269800406372e-08 3.148418051414631e-10 ] [ -3.786309772743577e-09 -7.030562499384346e-10 -5.899864320840658e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.131214 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.225376041912165e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3873742 1.6024257 0.9143042 ] [ 2.9461608 0.7401166 3.1214089 ] [ 2.1190784 3.1595083 2.9333179 ] [ 4.7259559 2.0784643 1.8509548 ] [ 4.1632594 2.4743407 4.3206828 ] [ 4.3566793 4.4084609 2.8547739 ] [ 3.2591219 3.8695904 0.7495173 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3873742e-10 1.6024257e-10 9.143042e-11 ] [ 2.9461608e-10 7.401166e-11 3.1214089e-10 ] [ 2.1190784e-10 3.1595083e-10 2.9333179e-10 ] [ 4.7259559e-10 2.0784643e-10 1.8509548e-10 ] [ 4.163259400000001e-10 2.4743407e-10 4.3206828e-10 ] [ 4.3566793e-10 4.4084609e-10 2.8547739e-10 ] [ 3.2591219e-10 3.8695904e-10 7.495173000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.22e-05 -1.57e-05 -3.61e-05 ] [ -2.74e-05 -6.53e-05 1.43e-05 ] [ -3.34e-05 2.59e-05 3.06e-05 ] [ 0.0001001 -2.95e-05 -2.47e-05 ] [ 7.6e-06 5.3e-06 5.34e-05 ] [ 1.77e-05 5.33e-05 2.34e-05 ] [ -2.25e-05 2.6e-05 -6.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.761185339776e-14 -2.515417294656e-14 -5.783857601088001e-14 ] [ -4.389963940992e-14 -1.0462213333824e-13 2.291112567744e-14 ] [ -5.351269913472e-14 4.149637447872e-14 4.902660459647999e-14 ] [ 1.6037787974208e-13 -4.72642103136e-14 -3.957376253376001e-14 ] [ 1.217654231808e-14 8.491536090240001e-15 8.555623155072e-14 ] [ 2.835852618816e-14 8.539601388864e-14 3.749093292672001e-14 ] [ -3.604897396800001e-14 4.16565921408e-14 -9.741233854464e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }