{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.086446 2.17872 1.239282 ] [ 2.929314 1.55844 2.269162 ] [ 0.8330856 2.151385 3.328528 ] [ 0.5041522 4.058533 2.531522 ] [ 2.750614 3.605463 1.493085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.086446e-10 2.17872e-10 1.239282e-10 ] [ 2.929314e-10 1.55844e-10 2.269162e-10 ] [ 8.330856e-11 2.151385e-10 3.328528e-10 ] [ 5.041522000000001e-11 4.058533e-10 2.531522e-10 ] [ 2.750614e-10 3.605463e-10 1.493085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.4286969 -7.1617958 -24.7281133 ] [ 12.5987033 -12.4984315 6.8928367 ] [ -4.3308964 -14.0888186 24.2701166 ] [ -4.9594785 18.1207089 -1.7752084 ] [ 9.1203685 15.6283371 -4.6596315 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.991296760018943e-08 -1.147446179370363e-08 -3.961880500575354e-08 ] [ 2.018534787965581e-08 -2.002469474597028e-08 1.104354181173222e-08 ] [ -6.938860959186886e-09 -2.257277577561219e-08 3.888501340060998e-08 ] [ -7.945960504060254e-09 2.903257615190249e-08 -2.844197395527775e-09 ] [ 1.461244118378076e-08 2.503935632360127e-08 -7.465552650843236e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.82718863 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.325302283977582e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9648635 2.1554128 1.0686691 ] [ 3.0325503 1.4554141 2.407716 ] [ 0.7009232 1.8456426 3.5970869 ] [ 0.5368086 4.2431391 2.4887157 ] [ 2.8684662 3.8529324 1.2993913 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.648635000000001e-11 2.1554128e-10 1.0686691e-10 ] [ 3.0325503e-10 1.4554141e-10 2.407716e-10 ] [ 7.009232e-11 1.8456426e-10 3.5970869e-10 ] [ 5.368086e-11 4.2431391e-10 2.4887157e-10 ] [ 2.8684662e-10 3.8529324e-10 1.2993913e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.59e-05 -3.73e-05 -4.09e-05 ] [ 1.84e-05 1.55e-05 2.6e-06 ] [ 5.4e-06 3.19e-05 -1.57e-05 ] [ 2.5e-06 6.1e-06 3.02e-05 ] [ -5e-07 -1.63e-05 2.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.149637447872e-14 -5.976118795584e-14 -6.552902379072e-14 ] [ 2.948004982272e-14 2.48337376224e-14 4.16565921408e-15 ] [ 8.65175375232e-15 5.110943420352001e-14 -2.515417294656e-14 ] [ 4.005441552e-15 9.77327738688e-15 4.838573394816e-14 ] [ -8.010883104e-16 -2.611547891904e-14 3.813180357504e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.312806 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.812511328884596e-18 } }