{ "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" [ [ -5.3193644 -1.2871854 -3.199974 ] [ 1.3339708 0.4900178 1.0989972 ] [ -2.4853547 2.8661969 -0.684015 ] [ 11.3263068 -14.8492101 -14.8987037 ] [ -7.5151146 -6.9842731 11.3548551 ] [ -3.7153188 10.1824295 -5.6381696 ] [ 6.3748749 9.5820243 11.9670099 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.522561349411429e-09 -2.062298371505943e-09 -5.126923572207515e-09 ] [ 2.137256846198287e-09 7.850950694040851e-10 1.760787634671424e-09 ] [ -3.981977227542079e-09 4.592153701623234e-09 -1.09591285030551e-09 ] [ 1.814674410447531e-08 -2.37910574555768e-08 -2.387035494502934e-08 ] [ -1.204054101395226e-08 -1.119003916629474e-08 1.819248352367573e-08 ] [ -5.952596969220918e-09 1.63140506222523e-08 -9.033343591649126e-09 ] [ 1.021367560945309e-08 1.535209543988021e-08 1.917326364062668e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.597855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.858181228552007e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1302038 3.0160094 0.7930221 ] [ 1.3729337 2.7035697 2.4976668 ] [ 2.251643 4.6158725 3.9098966 ] [ 4.7067422 1.9561412 2.3686605 ] [ 3.0659693 2.1254213 4.2928829 ] [ 3.6553273 5.1716546 1.8741655 ] [ 4.833702 4.0369842 3.8099797 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1302038e-10 3.0160094e-10 7.930221e-11 ] [ 1.3729337e-10 2.7035697e-10 2.4976668e-10 ] [ 2.251643e-10 4.6158725e-10 3.9098966e-10 ] [ 4.7067422e-10 1.9561412e-10 2.3686605e-10 ] [ 3.0659693e-10 2.1254213e-10 4.292882900000001e-10 ] [ 3.6553273e-10 5.1716546e-10 1.8741655e-10 ] [ 4.833702e-10 4.0369842e-10 3.8099797e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-06 5.9e-06 2.6e-06 ] [ 1.37e-05 -3e-07 -2.8e-06 ] [ -1.35e-05 -1.18e-05 4.6e-06 ] [ -1.35e-05 1.11e-05 -3.7e-06 ] [ -3.9e-06 1.34e-05 5.3e-06 ] [ -5.7e-06 -4.5e-06 -1.81e-05 ] [ 2.17e-05 -1.38e-05 1.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.9226119608e-15 9.452842140600001e-15 4.165659248399999e-15 ] [ 2.19498198858e-14 -4.806529901999999e-16 -4.486094575199999e-15 ] [ -2.162938455899999e-14 -1.89056842812e-14 7.370012516399999e-15 ] [ -2.162938455899999e-14 1.77841606374e-14 -5.9280535458e-15 ] [ -6.248488872599999e-15 2.14691668956e-14 8.4915361602e-15 ] [ -9.1324068138e-15 -7.209794853e-15 -2.899939707539999e-14 ] [ 3.476723295779999e-14 -2.21100375492e-14 1.9226119608e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }