{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.6102132 -4.0162644 -28.8019336 ] [ -18.2664927 -9.1988439 -2.430026 ] [ 9.8590831 2.1690333 20.9020549 ] [ -13.4962724 14.4453039 8.4407048 ] [ 15.4552595 -5.6906201 -5.0513817 ] [ 7.7587947 -24.5661508 15.8305408 ] [ 7.2998409 26.8575421 -8.8899591 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.379508228914355e-08 -6.434764924631339e-09 -4.614578464775398e-08 ] [ -2.926614754795387e-08 -1.473817263496869e-08 -3.893330845136141e-09 ] [ 1.579599244534439e-08 3.475174442996673e-09 3.348878368745808e-08 ] [ -2.162341210722831e-08 2.314392818893106e-08 1.352349989363434e-08 ] [ 2.47620554392971e-08 -9.117378482074559e-09 -8.09320566247696e-09 ] [ 1.243095947392695e-08 -3.935931247480721e-08 2.536332236438053e-08 ] [ 1.169563442553963e-08 4.303052604477173e-08 -1.424328462988821e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 10.713888 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.716554087146967e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8619102 2.8912073 0.9660653 ] [ 1.3535762 2.1080712 2.836016 ] [ 3.4927879 3.288389 5.3052314 ] [ 1.773613 4.332003 3.9597531 ] [ 4.6974344 1.6935749 1.9915072 ] [ 3.4252382 1.2509668 4.0016398 ] [ 2.8692531 5.1039768 1.9451473 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8619102e-10 2.8912073e-10 9.660653e-11 ] [ 1.3535762e-10 2.1080712e-10 2.836016e-10 ] [ 3.4927879e-10 3.288389e-10 5.305231400000001e-10 ] [ 1.773613e-10 4.332003000000001e-10 3.9597531e-10 ] [ 4.6974344e-10 1.6935749e-10 1.9915072e-10 ] [ 3.4252382e-10 1.2509668e-10 4.0016398e-10 ] [ 2.8692531e-10 5.1039768e-10 1.9451473e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-05 -4.2e-06 -1.25e-05 ] [ -1.33e-05 -1.32e-05 2e-07 ] [ 2.79e-05 1.62e-05 1.19e-05 ] [ -4.2e-05 2.35e-05 8.7e-06 ] [ 2.72e-05 -1.13e-05 6.7e-06 ] [ 5e-07 -5.88e-05 8e-07 ] [ 1.06e-05 4.79e-05 -1.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-14 -6.72914180736e-15 -2.002720776e-14 ] [ -2.130894905664e-14 -2.114873139456e-14 3.2043532416e-16 ] [ 4.470072772032e-14 2.595526125696e-14 1.906590178752e-14 ] [ -6.72914180736e-14 3.76511505888e-14 1.393893660096e-14 ] [ 4.357920408576e-14 -1.810459581504e-14 1.073458335936e-14 ] [ 8.010883104e-16 -9.420798530304e-14 1.28174129664e-15 ] [ 1.698307218048e-14 7.674426013632e-14 -2.531439060864e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.350653 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.619663397141338e-18 } }