{ "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" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -40.214818 30.4742096 -50.5649306 ] [ 2.1617414 -21.9980806 67.7322328 ] [ 27.3363683 -24.4522121 -19.7486815 ] [ -43.3446405 59.7989012 -53.9412461 ] [ 54.0613488 -43.8228182 56.5226254 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.44312417401626e-08 4.882506656073848e-08 -8.10139503071516e-08 ] [ 3.463491559830447e-09 -3.52448107301687e-08 1.085190007608084e-07 ] [ 4.37976905486783e-08 -3.917676287623207e-08 -3.164087605160807e-08 ] [ -6.944577021823006e-08 9.580840224151455e-08 -8.642340411026361e-08 ] [ 8.661582984988392e-08 -7.021189535606994e-08 9.05592297082149e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 50.447226 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.082536674731727e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1815184 1.0866993 0.9397628 ] [ 0.389726 0.3884109 3.2334826 ] [ 2.0473057 -0.4322542 0.2484729 ] [ 1.4764705 2.8827306 1.2566484 ] [ 2.6337262 1.0968978 2.5002848 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.815184e-11 1.0866993e-10 9.397628e-11 ] [ 3.89726e-11 3.884109e-11 3.2334826e-10 ] [ 2.0473057e-10 -4.322542e-11 2.484729e-11 ] [ 1.4764705e-10 2.8827306e-10 1.2566484e-10 ] [ 2.6337262e-10 1.0968978e-10 2.5002848e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.98e-05 -1.67e-05 1.23e-05 ] [ -2.18e-05 9e-07 2.29e-05 ] [ 7e-06 9.5e-06 -8.4e-06 ] [ 6.5e-06 2.01e-05 -9e-06 ] [ -1.16e-05 -1.38e-05 -1.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.17230973532e-14 -2.67563497878e-14 1.97067725982e-14 ] [ -3.492745062119999e-14 1.4419589706e-15 3.66898449186e-14 ] [ 1.1215236438e-14 1.5220678023e-14 -1.34582837256e-14 ] [ 1.0414148121e-14 3.22037503434e-14 -1.4419589706e-14 ] [ -1.85852489544e-14 -2.21100375492e-14 -2.86789617486e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.892431 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.905377506965725e-18 } }