{ "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" [ [ 1.175063 2.090387 1.108777 ] [ 2.290473 2.943113 3.7458 ] [ 1.562387 4.346014 1.227002 ] [ 3.205072 1.346551 2.036178 ] [ 4.414518 1.768723 4.119804 ] [ 3.44377 3.554925 2.238453 ] [ 4.008705 3.851776 5.027783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.175063e-10 2.090387e-10 1.108777e-10 ] [ 2.290473e-10 2.943113e-10 3.7458e-10 ] [ 1.562387e-10 4.346014000000001e-10 1.227002e-10 ] [ 3.205072e-10 1.346551e-10 2.036178e-10 ] [ 4.414518e-10 1.768723e-10 4.119804e-10 ] [ 3.44377e-10 3.554925e-10 2.238453e-10 ] [ 4.008705e-10 3.851776e-10 5.027783000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.573929 -10.3784482 -13.6141865 ] [ -22.274397 6.1531747 27.5101252 ] [ -5.1301564 8.4413545 -8.410366 ] [ 4.0939882 -20.7443431 -14.6059049 ] [ 19.4862369 -19.625494 15.5059803 ] [ 14.6717654 26.901433 -21.6459292 ] [ 5.7264918 9.252323 15.2602811 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.655436155859912e-08 -1.662810706622384e-08 -2.181233132151098e-08 ] [ -3.568751811581766e-08 9.858472648038054e-09 4.407607943072092e-08 ] [ -8.219416645127493e-09 1.352454082778487e-08 -1.347489177757121e-08 ] [ 6.559292179871075e-09 -3.32361015286738e-08 -2.340123935640816e-08 ] [ 3.122039318855027e-08 -3.144350765845068e-08 2.484331911924537e-08 ] [ 2.350675950974236e-08 4.310084701861761e-08 -3.468060169973205e-08 ] [ 9.174851281162909e-09 1.482385559869012e-08 2.444966560525611e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 14.122343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.262648778551854e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4673483 1.6246328 1.2730426 ] [ 1.4457581 4.0341693 4.301063 ] [ 1.4328825 3.9661227 1.8823392 ] [ 3.8476107 1.4468902 1.6702481 ] [ 4.1186413 1.2456203 4.0662958 ] [ 3.9596444 3.9603424 1.9049564 ] [ 3.8281028 3.6237113 4.4058518 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4673483e-10 1.6246328e-10 1.2730426e-10 ] [ 1.4457581e-10 4.034169300000001e-10 4.301063e-10 ] [ 1.4328825e-10 3.9661227e-10 1.8823392e-10 ] [ 3.8476107e-10 1.4468902e-10 1.6702481e-10 ] [ 4.118641300000001e-10 1.2456203e-10 4.0662958e-10 ] [ 3.9596444e-10 3.9603424e-10 1.9049564e-10 ] [ 3.8281028e-10 3.6237113e-10 4.4058518e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.18e-05 -2.08e-05 -3.98e-05 ] [ 4.6e-06 -3.9e-06 -3.9e-06 ] [ -2.42e-05 1.88e-05 2.66e-05 ] [ 1.44e-05 -1.06e-05 9.1e-06 ] [ -1.14e-05 3e-07 2.18e-05 ] [ 6.5e-06 1.32e-05 -3.8e-06 ] [ 2.19e-05 3e-06 -1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.890568412544e-14 -3.332527371264e-14 -6.376662950784e-14 ] [ 7.370012455680001e-15 -6.24848882112e-15 -6.24848882112e-15 ] [ -3.877267422336e-14 3.012092047104e-14 4.261789811328e-14 ] [ 2.307134333952e-14 -1.698307218048e-14 1.457980724928e-14 ] [ -1.826481347712e-14 4.8065298624e-16 3.492745033344e-14 ] [ 1.04141480352e-14 2.114873139456e-14 -6.08827115904e-15 ] [ 3.508766799552e-14 4.8065298624e-15 -1.618198387008e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.457688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.797029956682071e-18 } }