{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.498941 0.2917441 1.412179 ] [ 0.7321813 1.344758 2.47059 ] [ 0.7391833 1.573141 0.3619984 ] [ 0.011627 2.973124 1.6693 ] [ 2.701347 1.320916 0.403113 ] [ 2.713757 1.097636 2.168947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.498941e-10 2.917441e-11 1.412179e-10 ] [ 7.321813e-11 1.344758e-10 2.47059e-10 ] [ 7.391833000000001e-11 1.573141e-10 3.619984e-11 ] [ 1.1627e-12 2.973124e-10 1.6693e-10 ] [ 2.701347e-10 1.320916e-10 4.03113e-11 ] [ 2.713757e-10 1.097636e-10 2.168947e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.8074463 -66.7205368 -21.0664003 ] [ -22.9602653 13.6988422 37.5910695 ] [ -18.3409183 12.4409171 -25.0818397 ] [ -6.4524859 14.0735075 -0.4862419 ] [ 22.1106641 10.8550928 -33.5201945 ] [ 41.4504516 15.6521772 42.5636068 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.532632089641146e-08 -1.068980841881861e-07 -3.375209404507411e-08 ] [ -3.67864002710255e-08 2.194796470486844e-08 6.022753270376795e-08 ] [ -2.938539050426288e-08 1.993254651893094e-08 -4.018553717399329e-08 ] [ -1.033802205502165e-08 2.254824468915346e-08 -7.790454042333715e-10 ] [ 3.542518909138188e-08 1.739177590077441e-08 -5.370527195256875e-08 ] [ 6.641094447512195e-08 2.507755237445881e-08 6.819441571188391e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 21.432129 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.433805601776968e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.224643 -0.0349431 1.2825494 ] [ 0.7742808 1.4700292 3.1187651 ] [ 0.6380093 1.7837885 -0.1964714 ] [ -0.2587836 2.9435595 1.6254158 ] [ 2.9606697 1.3317672 0.1414917 ] [ 3.0582176 1.1071179 2.5143768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.224643e-10 -3.49431e-12 1.2825494e-10 ] [ 7.742808e-11 1.4700292e-10 3.1187651e-10 ] [ 6.380093e-11 1.7837885e-10 -1.964714e-11 ] [ -2.587836e-11 2.9435595e-10 1.6254158e-10 ] [ 2.9606697e-10 1.3317672e-10 1.414917e-11 ] [ 3.0582176e-10 1.1071179e-10 2.5143768e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.75e-05 2.5e-06 3.68e-05 ] [ 3.43e-05 -4e-07 -2.57e-05 ] [ -2e-06 5.56e-05 -2.73e-05 ] [ -1.19e-05 -4.87e-05 1.19e-05 ] [ 2.17e-05 -2.54e-05 -1.18e-05 ] [ -1.46e-05 1.63e-05 1.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.4059857072e-14 4.005441552e-15 5.896009964544001e-14 ] [ 5.495465809344e-14 -6.408706483200001e-16 -4.117593915456e-14 ] [ -3.2043532416e-15 8.908102011648e-14 -4.373942174784e-14 ] [ -1.906590178752e-14 -7.802600143296e-14 1.906590178752e-14 ] [ 3.476723267136e-14 -4.069528616832e-14 -1.890568412544e-14 ] [ -2.339177866368e-14 2.611547891904e-14 2.579504359488e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.859021 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.861330591657623e-18 } }