{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9159423 0.8981846 2.4648746 ] [ 4.9573593 4.2996469 1.9768988 ] [ -1.7131716 -1.0333611 -2.483929 ] [ -1.1204228 -6.7964733 -2.7471301 ] [ -2.8191889 -7.0109051 4.2751826 ] [ 2.1427102 10.0817212 0.1965088 ] [ -2.3632286 -0.4388132 -3.6824056 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.467501351152218e-09 1.439050379138636e-09 3.949164489860096e-09 ] [ 7.942565236802596e-09 6.888793797630534e-09 3.167341065142639e-09 ] [ -2.744803507552394e-09 -1.655627008904537e-09 -3.979693004314986e-09 ] [ -1.795115230360855e-09 -1.088915071486487e-08 -4.401387656778084e-09 ] [ -4.516838582412162e-09 -1.123270833441143e-08 6.849597667803368e-09 ] [ 3.433000215873466e-09 1.615269813714244e-08 3.148418077353792e-10 ] [ -3.786309643720531e-09 -7.030562557307688e-10 -5.89986420923075e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.131214 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.225376068485367e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3873801 1.6024237 0.9143014 ] [ 2.9461577 0.7401184 3.1214154 ] [ 2.1190738 3.1595063 2.9333146 ] [ 4.7259555 2.0784614 1.8509501 ] [ 4.1632625 2.4743441 4.32068 ] [ 4.3566804 4.4084583 2.8547786 ] [ 3.25912 3.8695947 0.7495197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3873801e-10 1.6024237e-10 9.143014e-11 ] [ 2.9461577e-10 7.401184e-11 3.1214154e-10 ] [ 2.1190738e-10 3.1595063e-10 2.9333146e-10 ] [ 4.7259555e-10 2.0784614e-10 1.8509501e-10 ] [ 4.1632625e-10 2.4743441e-10 4.32068e-10 ] [ 4.3566804e-10 4.408458300000001e-10 2.8547786e-10 ] [ 3.25912e-10 3.8695947e-10 7.495197000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.32e-05 -1.93e-05 -1.39e-05 ] [ 5.6e-06 -1.96e-05 -4.92e-05 ] [ 0.0001235 5.4e-06 2.22e-05 ] [ -1.2e-06 5.57e-05 8.35e-05 ] [ -3.38e-05 -5.04e-05 4.28e-05 ] [ -2.56e-05 3.96e-05 -6.24e-05 ] [ 4.7e-06 -1.14e-05 -2.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.172793296088e-13 -3.09220090362e-14 -2.22702552126e-14 ] [ 8.972189150399999e-15 -3.140266202639999e-14 -7.882709039280001e-14 ] [ 1.97868814299e-13 8.6517538236e-15 3.55683212748e-14 ] [ -1.9226119608e-15 8.924123851379999e-14 1.33781748939e-13 ] [ -5.415357022919999e-14 -8.074970235359998e-14 6.857315993519999e-14 ] [ -4.10157218304e-14 6.34461947064e-14 -9.997582196159998e-14 ] [ 7.530230179799999e-15 -1.82648136276e-14 -3.6850062582e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }