{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.785968 0.0335148 -1.3804044 ] [ -1.3576024 0.4524907 1.6578559 ] [ -3.6957841 -0.0460746 1.8617525 ] [ -1.9349476 -5.8759509 -1.6087353 ] [ 0.3084148 1.1987166 1.0574927 ] [ 4.830834 3.7494446 -2.5703137 ] [ 2.6350533 0.4878588 0.9823523 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.259259554296934e-09 5.369662901078784e-11 -2.211651656929451e-09 ] [ -2.17511882562197e-09 7.249700206694266e-10 2.656177963635342e-09 ] [ -5.921298880544369e-09 -7.381964693271168e-11 2.982856329215952e-09 ] [ -3.10012780719307e-09 -9.41431115694872e-09 -2.577478086715674e-09 ] [ 4.941349820687078e-10 1.920555711484865e-09 1.694290080606668e-09 ] [ 7.739849293765748e-09 6.007272479104808e-09 -4.118096518261945e-09 ] [ 4.221820791821889e-09 7.81635963611543e-10 1.573901888449108e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.633922 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985483418221078e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4258812 1.2803943 3.480287 ] [ 1.5070253 3.2142896 4.5504187 ] [ 1.7035615 4.2625838 2.4751488 ] [ 3.3202265 2.5929159 1.6982343 ] [ 3.7516767 2.43617 5.1038213 ] [ 3.96882 4.9534795 2.3865581 ] [ 5.0972938 3.0861415 3.3118538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4258812e-10 1.2803943e-10 3.480287e-10 ] [ 1.5070253e-10 3.2142896e-10 4.5504187e-10 ] [ 1.7035615e-10 4.2625838e-10 2.4751488e-10 ] [ 3.3202265e-10 2.5929159e-10 1.6982343e-10 ] [ 3.7516767e-10 2.43617e-10 5.1038213e-10 ] [ 3.96882e-10 4.9534795e-10 2.3865581e-10 ] [ 5.0972938e-10 3.0861415e-10 3.3118538e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.3e-06 9.9e-06 -1.1e-06 ] [ 7.2e-06 -1.37e-05 3.4e-06 ] [ 1.5e-06 1.04e-05 -2e-07 ] [ 1.7e-05 -3e-07 -1e-05 ] [ 2.7e-06 1e-05 1.05e-05 ] [ -1.12e-05 -7.7e-06 5e-07 ] [ -1.09e-05 -8.7e-06 -3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.009371271104e-14 1.586154854592e-14 -1.76239428288e-15 ] [ 1.153567166976e-14 -2.194981970496e-14 5.44740051072e-15 ] [ 2.4032649312e-15 1.666263685632e-14 -3.2043532416e-16 ] [ 2.72370025536e-14 -4.8065298624e-16 -1.6021766208e-14 ] [ 4.32587687616e-15 1.6021766208e-14 1.68228545184e-14 ] [ -1.794437815296e-14 -1.233675998016e-14 8.010883104e-16 ] [ -1.746372516672e-14 -1.393893660096e-14 -4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.043373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.531737686417396e-18 } }