{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3902222 -5.3114676 -2.6124722 ] [ -5.444028 5.3781941 0.3271992 ] [ -0.5535469 -2.6597476 1.9240723 ] [ -0.0780021 -0.6147961 -1.0095291 ] [ 1.3115198 0.7346608 0.5051061 ] [ 1.3872276 -0.2955842 -1.5077832 ] [ 1.9866074 2.7687406 2.3734069 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.227381506557142e-09 -8.509909210856687e-09 -4.185641881329942e-09 ] [ -8.722294384580582e-09 8.616816849144497e-09 5.242309085844634e-10 ] [ -8.868799016963154e-10 -4.26138542194891e-09 3.082703655788884e-09 ] [ -1.249731409933037e-10 -9.850119379790187e-10 -1.617443922037265e-09 ] [ 2.101286361276292e-09 1.177056357978225e-09 8.092691844434669e-10 ] [ 2.222583628448494e-09 -4.735780947178714e-10 -2.415734992275011e-09 ] [ 3.182895930988274e-09 4.436011458379765e-09 3.802617046825404e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.281656 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.531220804070805e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3288095 1.2781271 2.1019268 ] [ 1.3210756 3.3415401 3.0012889 ] [ 2.4238562 1.5075377 4.3986338 ] [ 3.1234764 3.3244762 1.3181044 ] [ 4.2525662 2.943531 4.9342419 ] [ 4.5739421 2.0108909 2.8251985 ] [ 3.5856919 4.4993798 3.2526517 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3288095e-10 1.2781271e-10 2.1019268e-10 ] [ 1.3210756e-10 3.3415401e-10 3.0012889e-10 ] [ 2.4238562e-10 1.5075377e-10 4.3986338e-10 ] [ 3.1234764e-10 3.3244762e-10 1.3181044e-10 ] [ 4.252566200000001e-10 2.943531e-10 4.9342419e-10 ] [ 4.5739421e-10 2.0108909e-10 2.8251985e-10 ] [ 3.5856919e-10 4.4993798e-10 3.2526517e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 1.7e-06 5e-06 ] [ -1.42e-05 3.9e-06 -8e-07 ] [ 3.6e-06 2.6e-06 -2.7e-06 ] [ 8e-07 -1.33e-05 -9.7e-06 ] [ -4.2e-06 -8e-07 -3e-07 ] [ 8.4e-06 -4.5e-06 -8.7e-06 ] [ 4.6e-06 1.04e-05 1.72e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-15 2.72370025536e-15 8.010883104e-15 ] [ -2.275090801536e-14 6.24848882112e-15 -1.28174129664e-15 ] [ 5.76783583488e-15 4.16565921408e-15 -4.32587687616e-15 ] [ 1.28174129664e-15 -2.130894905664e-14 -1.554111322176e-14 ] [ -6.72914180736e-15 -1.28174129664e-15 -4.8065298624e-16 ] [ 1.345828361472e-14 -7.2097947936e-15 -1.393893660096e-14 ] [ 7.370012455680001e-15 1.666263685632e-14 2.755743787776e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }