{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.5413927 -8.6172552 5.5720602 ] [ -10.8808465 3.5572863 11.9242667 ] [ -3.5168187 -2.8111908 3.294934 ] [ 4.3113519 5.232181 -5.909922 ] [ 16.9436719 6.0365508 0.5844082 ] [ -1.9768829 5.1743668 -19.4800251 ] [ 4.6609171 -8.571939 4.014278 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.528699631381179e-08 -1.380636481690723e-08 8.927424582130172e-09 ] [ -1.743303787681351e-08 5.699400943352135e-09 1.910478132692397e-08 ] [ -5.634564700732249e-09 -4.504024176368048e-09 5.279066221879027e-09 ] [ 6.907547218221659e-09 8.382878073993965e-09 -9.468738859151578e-09 ] [ 2.714675498868592e-08 9.671620562031537e-09 9.363251550438106e-10 ] [ -3.167315564439304e-09 8.29024951440371e-09 -3.121044078781718e-08 ] [ 7.467612409106936e-09 -1.373376026072373e-08 6.431582360991783e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.674924 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.671617338641682e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6478779 2.6625591 2.3914848 ] [ 4.7762267 1.4177568 1.8152407 ] [ 5.5587232 2.1929902 4.1037503 ] [ 3.2244182 1.3135318 3.7663269 ] [ 5.8024618 3.7196967 2.1290771 ] [ 3.5646836 3.4448025 1.0096673 ] [ 3.6975446 3.7869653 3.5138209 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6478779e-10 2.6625591e-10 2.3914848e-10 ] [ 4.7762267e-10 1.4177568e-10 1.8152407e-10 ] [ 5.558723200000001e-10 2.1929902e-10 4.1037503e-10 ] [ 3.2244182e-10 1.3135318e-10 3.7663269e-10 ] [ 5.8024618e-10 3.7196967e-10 2.1290771e-10 ] [ 3.5646836e-10 3.4448025e-10 1.0096673e-10 ] [ 3.6975446e-10 3.7869653e-10 3.5138209e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.4e-05 -9.37e-05 0.0001 ] [ 6.49e-05 -9.75e-05 -8.7e-05 ] [ 3.02e-05 2.6e-05 9.04e-05 ] [ -0.0001871 -3.75e-05 -2.58e-05 ] [ 6.31e-05 4.49e-05 -7.23e-05 ] [ 5.8e-06 6.47e-05 -9.92e-05 ] [ 9.1e-06 9.31e-05 9.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.24304726912e-14 -1.5012394936896e-13 1.6021766208e-13 ] [ 1.0398126268992e-13 -1.56212220528e-13 -1.393893660096e-13 ] [ 4.838573394816e-14 4.16565921408e-14 1.4483676652032e-13 ] [ -2.9976724575168e-13 -6.008162327999999e-14 -4.133615681664e-14 ] [ 1.0109734477248e-13 7.193773027392e-14 -1.1583736968384e-13 ] [ 9.292624400640001e-15 1.0366082736576e-13 -1.5893592078336e-13 ] [ 1.457980724928e-14 1.4916264339648e-13 1.5044438469312e-13 ] ] } "relaxed-potential-energy" { "source-value" -27.211343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.359737757516974e-18 } }