{ "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" [ [ -0.8724463 -1.7171531 -2.669463 ] [ -2.0742003 -6.6466829 -0.9534198 ] [ -16.7536282 2.983662 6.6690879 ] [ 16.2672977 -11.5233727 -7.522034 ] [ 2.7279404 -1.7827229 13.5553154 ] [ 3.9595655 15.6803867 0.7108817 ] [ -3.2545288 3.0058828 -9.7903682 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.397813064763463e-09 -2.751182551154245e-09 -4.27695120869063e-09 ] [ -3.323235227516347e-09 -1.064915994825115e-08 -1.527546913367812e-09 ] [ -2.684227141561559e-08 4.78035350076937e-09 1.068505671544017e-08 ] [ 2.606308405853362e-08 -1.846247833270497e-08 -1.205162701566271e-08 ] [ 4.370642331815801e-09 -2.856236951744777e-09 2.17180094214502e-08 ] [ 6.343923272626263e-09 2.512274897584326e-08 1.138958039894559e-09 ] [ -5.214329955080279e-09 4.815955147024843e-09 -1.568589903906378e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.878408 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.213894623523687e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3686977 1.8125551 0.2706041 ] [ 2.9876809 0.7433497 2.3649871 ] [ 1.9837144 2.6550475 3.5791976 ] [ 5.2559174 1.5165262 2.2366017 ] [ 3.9080924 3.7671011 4.561878 ] [ 4.8733392 3.8836977 2.3330949 ] [ 2.580188 3.9546297 1.3985963 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3686977e-10 1.8125551e-10 2.706041e-11 ] [ 2.9876809e-10 7.433497e-11 2.3649871e-10 ] [ 1.9837144e-10 2.6550475e-10 3.5791976e-10 ] [ 5.2559174e-10 1.5165262e-10 2.2366017e-10 ] [ 3.9080924e-10 3.7671011e-10 4.561878e-10 ] [ 4.8733392e-10 3.8836977e-10 2.3330949e-10 ] [ 2.580188e-10 3.9546297e-10 1.3985963e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.5e-06 7.7e-06 4.1e-06 ] [ -1.3e-06 8.6e-06 -1.74e-05 ] [ 2.49e-05 -1.5e-06 3e-07 ] [ -2.17e-05 1.01e-05 1.6e-06 ] [ -4.9e-06 1.58e-05 -1.7e-06 ] [ -1.91e-05 -1.27e-05 2.1e-06 ] [ 1.96e-05 -2.8e-05 1.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.005441552e-15 1.233675998016e-14 6.568924145279999e-15 ] [ -2.08282960704e-15 1.377871893888e-14 -2.787787320192e-14 ] [ 3.989419785791999e-14 -2.4032649312e-15 4.8065298624e-16 ] [ -3.476723267136e-14 1.618198387008e-14 2.56348259328e-15 ] [ -7.850665441919999e-15 2.531439060864e-14 -2.72370025536e-15 ] [ -3.060157345728e-14 -2.034764308416e-14 3.36457090368e-15 ] [ 3.140266176767999e-14 -4.48609453824e-14 1.76239428288e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }