{ "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" [ [ -5.5678856 -3.4556005 0.6834337 ] [ 1.351235 -12.2255597 -2.026709 ] [ 0.33158 -1.4309562 2.8368803 ] [ 0.178374 0.4144617 -0.2522467 ] [ 9.9200831 4.9714075 0.7383836 ] [ -4.3409157 4.338464 -11.8783243 ] [ -1.8724707 7.3877831 9.8985824 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.92073613560898e-09 -5.536482331924791e-09 1.094981496006841e-09 ] [ 2.164917126206688e-09 -1.958750592753466e-08 -3.247145776964947e-09 ] [ 5.312497239248641e-10 -2.292644569028809e-09 4.54518329266809e-09 ] [ 2.857866525585793e-10 6.640408459570233e-10 -4.041437654139514e-10 ] [ 1.589372521921319e-08 7.965072868969776e-09 1.183020941102139e-09 ] [ -6.954913647403667e-09 6.950985590982451e-09 -1.903117348774052e-08 ] [ -3.000028778673011e-09 1.183653336236135e-08 1.585927730034235e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.211182 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.116664693353379e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.08381 3.0052056 2.7053225 ] [ 4.9907031 1.2236367 1.724457 ] [ 5.2133612 2.2378406 4.1897451 ] [ 3.19148 0.9711889 3.4421295 ] [ 5.4722704 3.8336726 2.0585592 ] [ 3.5192611 2.9914403 0.7441185 ] [ 3.8010502 4.2753177 3.8650362 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.08381e-10 3.0052056e-10 2.7053225e-10 ] [ 4.9907031e-10 1.2236367e-10 1.724457e-10 ] [ 5.2133612e-10 2.2378406e-10 4.1897451e-10 ] [ 3.19148e-10 9.711889e-11 3.4421295e-10 ] [ 5.4722704e-10 3.8336726e-10 2.0585592e-10 ] [ 3.5192611e-10 2.9914403e-10 7.441185e-11 ] [ 3.8010502e-10 4.2753177e-10 3.8650362e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 5.2e-06 1.19e-05 ] [ 1.71e-05 -6.7e-06 -6.8e-06 ] [ -6e-07 -6.4e-06 7.9e-06 ] [ -1.55e-05 -8e-06 -1.67e-05 ] [ -2.9e-06 1.26e-05 -1.32e-05 ] [ 6.3e-06 -1.08e-05 2.34e-05 ] [ 3.2e-06 1.41e-05 -6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233675998016e-14 8.33131842816e-15 1.906590178752e-14 ] [ 2.739722021568e-14 -1.073458335936e-14 -1.089480102144e-14 ] [ -9.6130597248e-16 -1.025393037312e-14 1.265719530432e-14 ] [ -2.48337376224e-14 -1.28174129664e-14 -2.675634956736e-14 ] [ -4.646312200320001e-15 2.018742542208e-14 -2.114873139456e-14 ] [ 1.009371271104e-14 -1.730350750464e-14 3.749093292672001e-14 ] [ 5.126965186560001e-15 2.259069035328e-14 -1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }