{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4134611 4.355055 0.6811543 ] [ -2.5233958 -0.2978262 8.2294988 ] [ -0.5824488 -1.7453513 -1.5445065 ] [ -4.3960246 -5.6870385 -0.2354931 ] [ 4.0866702 0.629539 -6.9255765 ] [ -4.7356699 1.7967081 -3.9036489 ] [ 8.56433 0.9489139 3.6985718 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.624377080302509e-10 6.977567303298144e-09 1.091329494617389e-09 ] [ -4.042925755784912e-09 -4.771701747017049e-10 1.318511057826165e-08 ] [ -9.33185850173015e-10 -2.796361047942887e-09 -2.474572204973635e-09 ] [ -7.043207838581671e-09 -9.1116401262895e-09 -3.773015391797165e-10 ] [ 6.547567451360062e-09 1.008632667681811e-09 -1.109599675386189e-08 ] [ -7.587379597606274e-09 2.878643712221989e-09 -6.254335003391638e-09 ] [ 1.372156929881606e-08 1.520327665732149e-09 5.925765268310173e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.498469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.284216779399356e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9669818 3.0751306 1.3253159 ] [ 2.780953 3.2715417 5.1745111 ] [ 0.9738512 3.1851132 3.5453882 ] [ 3.0035114 1.6586998 3.1940756 ] [ 4.3878728 3.0935548 1.5823604 ] [ 2.9967273 4.6774178 3.0414726 ] [ 4.8909345 3.214948 3.9612933 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9669818e-10 3.0751306e-10 1.3253159e-10 ] [ 2.780953e-10 3.2715417e-10 5.1745111e-10 ] [ 9.738512000000001e-11 3.1851132e-10 3.5453882e-10 ] [ 3.0035114e-10 1.6586998e-10 3.1940756e-10 ] [ 4.3878728e-10 3.0935548e-10 1.5823604e-10 ] [ 2.9967273e-10 4.677417799999999e-10 3.0414726e-10 ] [ 4.890934500000001e-10 3.214948e-10 3.9612933e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.3e-06 -3.25e-05 2e-07 ] [ -1.3e-05 -6.5e-06 2.95e-05 ] [ -2.72e-05 5.45e-05 4.3e-06 ] [ -1.22e-05 -9.2e-06 -2.21e-05 ] [ 2.75e-05 2.43e-05 -2.75e-05 ] [ -1.84e-05 -4.69e-05 5.5e-06 ] [ 4.67e-05 1.63e-05 1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.28718284864e-15 -5.207074017599999e-14 3.2043532416e-16 ] [ -2.08282960704e-14 -1.04141480352e-14 4.72642103136e-14 ] [ -4.357920408576e-14 8.731862583360001e-14 6.889359469440001e-15 ] [ -1.954655477376e-14 -1.474002491136e-14 -3.540810331968e-14 ] [ 4.4059857072e-14 3.893289188544e-14 -4.4059857072e-14 ] [ -2.948004982272e-14 -7.514208351552e-14 8.8119714144e-15 ] [ 7.482164819136e-14 2.611547891904e-14 1.618198387008e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }