{ "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" [ [ 0.1263174 0.4385011 2.440297 ] [ 1.443642 1.70162 0.7822092 ] [ 0.8295505 2.763862 2.693363 ] [ 2.917075 0.1010564 1.432133 ] [ 1.93191 1.054076 2.887848 ] [ 2.783401 2.698255 1.169851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263174e-11 4.385011e-11 2.440297e-10 ] [ 1.443642e-10 1.70162e-10 7.822092e-11 ] [ 8.295505e-11 2.763862e-10 2.693363e-10 ] [ 2.917075e-10 1.010564e-11 1.432133e-10 ] [ 1.93191e-10 1.054076e-10 2.887848e-10 ] [ 2.783401e-10 2.698255e-10 1.169851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -33.8581707 -14.5692527 -5.7676524 ] [ -88.6303135 -57.5486444 -44.3723662 ] [ -16.6808201 27.6663317 5.2769517 ] [ 19.3866749 -20.3536404 -18.83242 ] [ 31.0820508 -3.8249599 44.0798306 ] [ 88.7005785 68.6301657 19.6156564 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.424676951859557e-08 -2.334251605846728e-08 -9.240797832181012e-09 ] [ -1.420014161838746e-07 -9.220309261641286e-08 -7.109236773521613e-08 ] [ -2.672561997999071e-08 4.432634983303792e-08 8.454608642830814e-09 ] [ 3.106087727983018e-08 -3.261012679705036e-08 -3.017286303708633e-08 ] [ 4.979893511827794e-08 -6.128261327277506e-09 7.062367403614444e-08 ] [ 1.421139931241351e-07 1.099576469661701e-07 3.142774608572589e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 30.987027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.964669020749837e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1751677 0.4835019 2.5386381 ] [ 0.9872965 1.3651781 0.3551377 ] [ 0.6679994 3.0479619 2.5543525 ] [ 3.1965111 0.1364416 1.0664079 ] [ 2.268456 0.9253078 3.3929392 ] [ 3.0868006 2.7989793 1.4982259 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.751677e-11 4.835019e-11 2.5386381e-10 ] [ 9.872965000000001e-11 1.3651781e-10 3.551377e-11 ] [ 6.679994000000001e-11 3.0479619e-10 2.5543525e-10 ] [ 3.1965111e-10 1.364416e-11 1.0664079e-10 ] [ 2.268456e-10 9.253078e-11 3.3929392e-10 ] [ 3.0868006e-10 2.7989793e-10 1.4982259e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.7e-06 -6.9e-06 -1.91e-05 ] [ 3.4e-06 1.06e-05 -3.7e-06 ] [ -1.39e-05 -4.5e-06 2.92e-05 ] [ -4.3e-06 -2.94e-05 4.1e-06 ] [ 1.9e-06 1.79e-05 1.23e-05 ] [ 1.01e-05 1.23e-05 -2.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.32587687616e-15 -1.105501868352e-14 -3.060157345728e-14 ] [ 5.44740051072e-15 1.698307218048e-14 -5.928053496960001e-15 ] [ -2.227025502912e-14 -7.2097947936e-15 4.678355732736e-14 ] [ -6.889359469440001e-15 -4.710399265152e-14 6.568924145279999e-15 ] [ 3.04413557952e-15 2.867896151232001e-14 1.970677243584e-14 ] [ 1.618198387008e-14 1.970677243584e-14 -3.652962695424e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.864633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.182665057337217e-18 } }