{ "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" [ [ 1.032434 0.1172693 0.4247075 ] [ 0.2432392 0.0735251 2.276612 ] [ 0.5624588 1.720194 2.530042 ] [ 2.331345 1.198395 0.9085221 ] [ 2.704395 0.5611016 2.497073 ] [ 2.283372 2.154556 2.294867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032434e-10 1.172693e-11 4.247075e-11 ] [ 2.432392e-11 7.35251e-12 2.276612e-10 ] [ 5.624588000000001e-11 1.720194e-10 2.530042e-10 ] [ 2.331345e-10 1.198395e-10 9.085221e-11 ] [ 2.704395e-10 5.611016e-11 2.497073e-10 ] [ 2.283372e-10 2.154556e-10 2.294867e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.5084596 -14.0237746 -14.8413012 ] [ -3.7412158 -27.2608204 4.7074982 ] [ -11.5841675 31.6157506 8.122768 ] [ 16.7754979 9.9283644 -28.9809326 ] [ 8.6576154 -20.7223273 17.8332637 ] [ 3.4007296 20.4628073 13.1587038 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.164293833245298e-08 -2.246856398460269e-08 -2.377838600079616e-08 ] [ -5.994088537511616e-09 -4.367664946855053e-08 7.542243620637058e-09 ] [ -1.855988249284219e-08 5.065401687769147e-08 1.301410909300291e-08 ] [ 2.687731075909607e-08 1.590699345551743e-08 -4.643257304324886e-08 ] [ 1.387102910003856e-08 -3.32008286021603e-08 2.857203840810038e-08 ] [ 5.448569503672166e-09 3.278503172210463e-08 2.108256776208701e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.667157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.869284633060954e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9977166 -0.0352033 0.1279657 ] [ 0.4992422 -0.2895806 2.4040915 ] [ 0.0274661 2.2848345 2.7223512 ] [ 2.2881338 1.5328984 0.0805478 ] [ 2.6729436 0.2777338 3.2671194 ] [ 2.6717416 2.0543583 2.329748 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.977166e-11 -3.52033e-12 1.279657e-11 ] [ 4.992422000000001e-11 -2.895806e-11 2.4040915e-10 ] [ 2.74661e-12 2.2848345e-10 2.7223512e-10 ] [ 2.2881338e-10 1.5328984e-10 8.05478e-12 ] [ 2.6729436e-10 2.777338e-11 3.2671194e-10 ] [ 2.6717416e-10 2.0543583e-10 2.329748e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.75e-05 -1.74e-05 -1.16e-05 ] [ -1.39e-05 5.32e-05 1.82e-05 ] [ 1.15e-05 -2.53e-05 -1.25e-05 ] [ 4.07e-05 2.05e-05 -3.07e-05 ] [ 5.57e-05 -3.08e-05 2.12e-05 ] [ -6.65e-05 -2e-07 1.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.4059857435e-14 -2.78778734316e-14 -1.85852489544e-14 ] [ -2.22702552126e-14 8.523579692879999e-14 2.915961473879999e-14 ] [ 1.8425031291e-14 -4.053506884019999e-14 -2.0027207925e-14 ] [ 6.520858900379999e-14 3.2844620997e-14 -4.91868226638e-14 ] [ 8.924123851379999e-14 -4.93470403272e-14 3.39661446408e-14 ] [ -1.06544746161e-13 -3.204353268e-16 2.4833737827e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.973195 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.398970316532563e-18 } }