{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.6276563 -3.9131188 0.4817018 ] [ -5.4662596 1.0437155 1.4312364 ] [ -4.6831492 -4.3127911 -1.9361311 ] [ 3.0158645 -0.6525488 0.4321501 ] [ 2.6026803 -2.2536338 0.9588511 ] [ 7.9269142 3.323876 -2.1956718 ] [ 2.2316061 6.764501 0.8278634 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.016499428042893e-09 -6.269507507426118e-09 7.717713685157411e-10 ] [ -8.757913406498186e-09 1.672216586643627e-09 2.293093517810277e-09 ] [ -7.503232221775792e-09 -6.909853127743157e-09 -3.102024008780717e-09 ] [ 4.831947633210093e-09 -1.045498439904739e-09 6.923807926007633e-10 ] [ 4.169953562432109e-09 -3.610719415952629e-09 1.536248827905197e-09 ] [ 1.27003167109628e-08 5.325436461513384e-09 -3.51785405389272e-09 ] [ 3.575427149711867e-09 1.083792544286963e-08 1.326383395623796e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.81804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.053676418167736e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5149383 2.6822856 0.4020066 ] [ 1.650729 5.0275802 1.2410426 ] [ 2.0466526 3.0401235 2.9276101 ] [ 4.9786399 2.4811489 0.9796534 ] [ 4.5428369 2.8141689 3.3300679 ] [ 4.140546 4.8067392 0.4024272 ] [ 3.6722523 5.1645778 2.928031 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5149383e-10 2.6822856e-10 4.020066e-11 ] [ 1.650729e-10 5.0275802e-10 1.2410426e-10 ] [ 2.0466526e-10 3.0401235e-10 2.9276101e-10 ] [ 4.978639900000001e-10 2.4811489e-10 9.796534000000001e-11 ] [ 4.542836900000001e-10 2.8141689e-10 3.3300679e-10 ] [ 4.140546e-10 4.8067392e-10 4.024272e-11 ] [ 3.6722523e-10 5.1645778e-10 2.928031e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.4e-06 2.09e-05 -2.7e-06 ] [ 8.5e-06 -9e-06 1.22e-05 ] [ 5.3e-06 5.6e-06 -8.6e-06 ] [ 2.2e-06 7.3e-06 3.8e-06 ] [ -4.4e-06 4e-06 1.84e-05 ] [ -1.43e-05 -8.2e-06 -2.1e-06 ] [ 1.5e-06 -2.06e-05 -2.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.2430472876e-15 3.34854916506e-14 -4.3258769118e-15 ] [ 1.3618501389e-14 -1.4419589706e-14 1.95465549348e-14 ] [ 8.4915361602e-15 8.972189150399999e-15 -1.37787190524e-14 ] [ 3.5247885948e-15 1.16958894282e-14 6.088271209199999e-15 ] [ -7.0495771896e-15 6.408706535999999e-15 2.94800500656e-14 ] [ -2.29111258662e-14 -1.31378483988e-14 -3.364570931399999e-15 ] [ 2.403264951e-15 -3.300483866039999e-14 -3.364570931399999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.011061 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.725472445374867e-18 } }