{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.77607 1.044068 0.3020368 ] [ -0.3107478 0.2003672 0.9217906 ] [ -0.625147 -1.4970668 -0.9472244 ] [ 2.6196006 -8.9495281 -9.4470709 ] [ -0.1369515 -2.1938547 19.5147423 ] [ -2.3228244 11.3960144 -10.3442743 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.243401210104256e-09 1.672781340125414e-09 4.839162995812455e-10 ] [ -4.978728601250343e-10 3.210236434151578e-10 1.476871348593205e-09 ] [ -1.001595907963258e-09 -2.39856542673587e-09 -1.517620788331307e-09 ] [ 4.197062837153652e-09 -1.433872468901264e-08 -1.513587613102002e-08 ] [ -2.194204914834912e-10 -3.514942709772198e-09 3.126606387399683e-08 ] [ -3.721574947903788e-09 1.825842784198014e-08 -1.657335444260229e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 1.4017617209180635 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.245869857187296e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5956472 0.4956258 1.9326058 ] [ -0.0452479 2.3800474 0.5659432 ] [ 1.2798689 3.0264704 2.3877088 ] [ 2.7825501 0.4894995 1.0297268 ] [ 2.4190516 1.0929351 3.2783648 ] [ 2.2662755 2.7197396 0.2591669 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.956472000000001e-11 4.956258e-11 1.9326058e-10 ] [ -4.52479e-12 2.3800474e-10 5.659432e-11 ] [ 1.2798689e-10 3.0264704e-10 2.3877088e-10 ] [ 2.7825501e-10 4.894995e-11 1.0297268e-10 ] [ 2.4190516e-10 1.0929351e-10 3.2783648e-10 ] [ 2.2662755e-10 2.7197396e-10 2.591669e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.85e-05 -4.97e-05 2.13e-05 ] [ -1.07e-05 -2.33e-05 -2.18e-05 ] [ 1.64e-05 5.2e-05 3.04e-05 ] [ -1.33e-05 6.5e-06 -2.17e-05 ] [ -5.4e-06 -4.9e-06 4.3e-06 ] [ 3.14e-05 1.93e-05 -1.26e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.96402674848e-14 -7.962817805376001e-14 3.412636202304e-14 ] [ -1.714328984256e-14 -3.733071526464e-14 -3.492745033344e-14 ] [ 2.627569658112e-14 8.33131842816e-14 4.870616927232e-14 ] [ -2.130894905664e-14 1.04141480352e-14 -3.476723267136e-14 ] [ -8.65175375232e-15 -7.850665441919999e-15 6.889359469440001e-15 ] [ 5.030834589312e-14 3.092200878144e-14 -2.018742542208e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.6065442790819375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.058485078822507e-18 } }