{ "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" [ [ 2.717363 2.851349 1.457488 ] [ 0.2108152 2.748454 1.624055 ] [ 2.409053 4.258926 3.949315 ] [ 4.77033 2.580775 2.438947 ] [ 3.623649 2.286945 4.240246 ] [ 4.139768 4.74377 1.918983 ] [ 5.145543 4.155434 3.91724 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.717363e-10 2.851349e-10 1.457488e-10 ] [ 2.108152e-11 2.748454e-10 1.624055e-10 ] [ 2.409053e-10 4.258926e-10 3.949315e-10 ] [ 4.770330000000001e-10 2.580775e-10 2.438947e-10 ] [ 3.623649e-10 2.286945e-10 4.240246e-10 ] [ 4.139768e-10 4.743769999999999e-10 1.918983e-10 ] [ 5.145543e-10 4.155434e-10 3.91724e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5071134 -0.3103519 -1.7531199 ] [ 0.0 0.0 0.0 ] [ -0.7967122 0.2406328 0.2338091 ] [ 4.3134036 -6.3896135 -5.9337316 ] [ -2.7459917 -1.7246294 4.7864062 ] [ -1.1038149 4.2165826 -2.5100022 ] [ 2.8402286 3.9673795 5.1766385 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.016838508268296e-09 -4.972385624975046e-10 -2.808807740380416e-09 ] [ 0.0 0.0 0.0 ] [ -1.276473670862735e-09 3.855362495339952e-10 3.746034768365694e-10 ] [ 6.910834460931482e-09 -1.023728944999096e-08 -9.506886121947433e-09 ] [ -4.399563738897937e-09 -2.763160926989439e-09 7.66866817447273e-09 ] [ -1.768506441041046e-09 6.755710117050967e-09 -4.021466876128595e-09 ] [ 4.550547898138532e-09 6.356442733110602e-09 8.293889247364808e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0630584 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.452062040105742e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0521856 3.1142119 1.0759886 ] [ 0.7812101 3.0924165 0.7442637 ] [ 1.5142439 3.2227002 6.1685641 ] [ 4.1978714 2.6685272 3.114105 ] [ 3.2487892 2.1324227 5.1339352 ] [ 4.538272 4.9205278 0.6356502 ] [ 5.6839489 4.4748467 2.6737672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0521856e-10 3.1142119e-10 1.0759886e-10 ] [ 7.812101e-11 3.0924165e-10 7.442637e-11 ] [ 1.5142439e-10 3.2227002e-10 6.1685641e-10 ] [ 4.1978714e-10 2.6685272e-10 3.114105e-10 ] [ 3.2487892e-10 2.1324227e-10 5.1339352e-10 ] [ 4.538272e-10 4.9205278e-10 6.356502000000001e-11 ] [ 5.6839489e-10 4.4748467e-10 2.6737672e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.43e-05 7.4e-06 1.69e-05 ] [ -2.6e-06 -7.6e-06 2.51e-05 ] [ -1.53e-05 2.05e-05 -4.8e-06 ] [ 4.2e-06 -7.7e-06 -5.18e-05 ] [ -8e-06 -2.26e-05 1.1e-05 ] [ 5.9e-06 -4e-06 1.72e-05 ] [ -8.4e-06 1.41e-05 -1.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.893289220619999e-14 1.18561070916e-14 2.70767851146e-14 ] [ -4.165659248399999e-15 -1.21765424184e-14 4.02146335134e-14 ] [ -2.45133025002e-14 3.2844620997e-14 -7.690447843199998e-15 ] [ 6.729141862799999e-15 -1.23367600818e-14 -8.299274964119999e-14 ] [ -1.2817413072e-14 -3.62091919284e-14 1.7623942974e-14 ] [ 9.452842140600001e-15 -6.408706535999999e-15 2.75574381048e-14 ] [ -1.34582837256e-14 2.25906905394e-14 -2.19498198858e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.635287 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.665266813128396e-18 } }