{ "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" [ [ -0.4746599 -1.3109765 -1.7216636 ] [ -1.3791328 -6.0828124 -1.401832 ] [ -17.7853038 2.9490161 6.0484864 ] [ 17.5959126 -15.6442368 -9.2823144 ] [ 2.4285122 -3.2301667 15.7364501 ] [ 3.6128676 20.9889498 1.1553389 ] [ -3.9981959 2.3302265 -10.5344653 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.60488994611266e-10 -2.100415898718211e-09 -2.758409168802363e-09 ] [ -2.209614329138442e-09 -9.74573981599234e-09 -2.245982456689306e-09 ] [ -2.84951979421854e-08 4.724844649782795e-09 9.690743501306757e-09 ] [ 2.819175978936014e-08 -2.506483045121901e-08 -1.487190711859518e-08 ] [ 3.890905470167574e-09 -5.175297568026686e-09 2.521257244460582e-08 ] [ 5.788452002765806e-09 3.362800466470483e-08 1.851056974680789e-09 ] [ -6.405815996358415e-09 3.733434419468611e-09 -1.687807401628886e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.4589368 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.144004294584765e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1339212 2.0155199 0.3558086 ] [ 2.5202392 0.9443913 2.4644123 ] [ 2.1866933 2.7607115 3.9921388 ] [ 4.86892 1.6033692 2.282577 ] [ 4.7700637 3.031879 4.2128829 ] [ 3.396413 4.6257984 2.6738868 ] [ 4.0813795 3.3512375 0.7632535 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1339212e-10 2.0155199e-10 3.558086e-11 ] [ 2.5202392e-10 9.443913000000001e-11 2.4644123e-10 ] [ 2.1866933e-10 2.7607115e-10 3.9921388e-10 ] [ 4.868920000000001e-10 1.6033692e-10 2.282577e-10 ] [ 4.7700637e-10 3.031879e-10 4.2128829e-10 ] [ 3.396413e-10 4.6257984e-10 2.6738868e-10 ] [ 4.0813795e-10 3.3512375e-10 7.632535e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.28e-05 -1.47e-05 7.23e-05 ] [ -1.01e-05 4.49e-05 -3.5e-05 ] [ -2e-05 -2.01e-05 -1.21e-05 ] [ -2.1e-06 7e-06 -2.31e-05 ] [ 8e-06 -6.3e-06 3.47e-05 ] [ 1.47e-05 -1.2e-06 -1.57e-05 ] [ -3.33e-05 -9.5e-06 -2.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.857315937023999e-14 -2.355199632576e-14 1.1583736968384e-13 ] [ -1.618198387008e-14 7.193773027392e-14 -5.6076181728e-14 ] [ -3.2043532416e-14 -3.220375007808e-14 -1.938633711168e-14 ] [ -3.36457090368e-15 1.12152363456e-14 -3.701027994048e-14 ] [ 1.28174129664e-14 -1.009371271104e-14 5.559552874176001e-14 ] [ 2.355199632576e-14 -1.92261194496e-15 -2.515417294656e-14 ] [ -5.335248147264001e-14 -1.52206778976e-14 -3.380592669888e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }