{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4299156 -2.8387762 -6.2033991 ] [ -3.3587524 -2.5704717 3.8282304 ] [ -3.4266442 7.6356539 -1.8560343 ] [ 4.3602508 -0.0523985 -0.7038883 ] [ 3.0227906 -2.8689623 1.3679945 ] [ 0.7391165 -0.7668328 -1.3382209 ] [ 3.0931543 1.4617875 4.9053177 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.097507206437205e-09 -4.548220859323464e-09 -9.938941007511763e-09 ] [ -5.38131457033589e-09 -4.118349662168032e-09 6.133501245915832e-09 ] [ -5.49008922503992e-09 1.223366616310034e-08 -2.973694762862893e-09 ] [ 6.985891892584497e-09 -8.39516516649888e-11 -1.127753377914657e-09 ] [ 4.843044428894004e-09 -4.596584323016596e-09 2.191768805282986e-09 ] [ 1.184195176347523e-09 -1.228601584222602e-09 -2.144066239445935e-09 ] [ 4.95577950398699e-09 2.34204175707768e-09 7.85918533653643e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.449326 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.795690216591758e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5925128 2.5092242 1.9265733 ] [ 1.7970027 2.6304303 4.2519009 ] [ 2.5551836 4.7558798 3.2125117 ] [ 5.0443383 2.3136473 1.7805048 ] [ 4.059581 1.6707345 3.8880083 ] [ 4.013443 4.4278764 1.317634 ] [ 3.7713077 3.7801716 5.1060149 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5925128e-10 2.5092242e-10 1.9265733e-10 ] [ 1.7970027e-10 2.6304303e-10 4.2519009e-10 ] [ 2.5551836e-10 4.7558798e-10 3.2125117e-10 ] [ 5.0443383e-10 2.3136473e-10 1.7805048e-10 ] [ 4.059581e-10 1.6707345e-10 3.8880083e-10 ] [ 4.013443e-10 4.4278764e-10 1.317634e-10 ] [ 3.7713077e-10 3.7801716e-10 5.1060149e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.48e-05 9e-07 -3.28e-05 ] [ 3.88e-05 2.29e-05 6.8e-06 ] [ 2.67e-05 1.38e-05 8.2e-06 ] [ -2.3e-05 3.34e-05 2.35e-05 ] [ -2.27e-05 2.21e-05 2.3e-05 ] [ -4.52e-05 -3.65e-05 -1.13e-05 ] [ -1.94e-05 -5.66e-05 -1.73e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.177751261183999e-14 1.44195895872e-15 -5.255139316223999e-14 ] [ 6.216445288704e-14 3.668984461632e-14 1.089480102144e-14 ] [ 4.277811577536e-14 2.211003736704e-14 1.313784829056e-14 ] [ -3.68500622784e-14 5.351269913472e-14 3.76511505888e-14 ] [ -3.636940929216e-14 3.540810331968e-14 3.68500622784e-14 ] [ -7.241838326016e-14 -5.84794466592e-14 -1.810459581504e-14 ] [ -3.108222644352e-14 -9.068319673728001e-14 -2.771765553984e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.258503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.566205312060666e-18 } }