{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.6052136 -5.4812778 -0.9128411 ] [ -0.1875023 -5.7917827 -5.6073265 ] [ 3.8655879 -7.7092594 3.4660462 ] [ -1.7872036 2.9183509 -7.324608 ] [ 15.9328164 2.8435582 -2.284368 ] [ -4.5843634 12.4380777 0.059974 ] [ -0.6341215 0.7823332 12.6031234 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.019577853011021e-08 -8.781975143270059e-09 -1.462532668925355e-09 ] [ -3.004118014062279e-10 -9.2794588346939e-09 -8.983927423492293e-09 ] [ 6.193354559027369e-09 -1.235159517436264e-08 5.553218188252681e-09 ] [ -2.863415824529595e-09 4.675713583270638e-09 -1.173531569412465e-08 ] [ 2.552718593957882e-08 4.555882467924131e-09 -3.659961002903655e-09 ] [ -7.344959860731199e-09 1.992799729863383e-08 9.608894065585921e-11 ] [ -1.015974642046627e-09 1.253435962715651e-09 2.019242966053741e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.39903221 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.39320077808156e-20 } "relaxed-configuration-positions" { "source-value" [ [ 1.3220381 1.9306863 2.9359094 ] [ 3.1108245 1.6346543 1.3755062 ] [ 4.6654408 1.7614255 3.3687539 ] [ 3.8382108 3.919793 0.9795001 ] [ 5.8705699 3.4221293 2.1391414 ] [ 2.9263116 4.9222961 2.9171321 ] [ 2.8697683 3.0577655 4.370182 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3220381e-10 1.9306863e-10 2.9359094e-10 ] [ 3.1108245e-10 1.6346543e-10 1.3755062e-10 ] [ 4.6654408e-10 1.7614255e-10 3.3687539e-10 ] [ 3.8382108e-10 3.919793e-10 9.795001e-11 ] [ 5.8705699e-10 3.4221293e-10 2.1391414e-10 ] [ 2.9263116e-10 4.9222961e-10 2.9171321e-10 ] [ 2.8697683e-10 3.0577655e-10 4.370182e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.7e-06 6.6e-06 -3.31e-05 ] [ 7e-07 -1.67e-05 2.23e-05 ] [ -9.3e-06 1.46e-05 1.83e-05 ] [ -1.64e-05 5.2e-06 -4.9e-06 ] [ -3.9e-06 6.8e-06 -1.26e-05 ] [ 1.98e-05 -1.21e-05 2.02e-05 ] [ 1.29e-05 -4.4e-06 -1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.928053496960001e-15 1.057436569728e-14 -5.303204614848e-14 ] [ 1.12152363456e-15 -2.675634956736e-14 3.572853864384e-14 ] [ -1.490024257344e-14 2.339177866368e-14 2.931983216064e-14 ] [ -2.627569658112e-14 8.33131842816e-15 -7.850665441919999e-15 ] [ -6.24848882112e-15 1.089480102144e-14 -2.018742542208e-14 ] [ 3.172309709184e-14 -1.938633711168e-14 3.236396774016e-14 ] [ 2.066807840832e-14 -7.04957713152e-15 -1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }