{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0504674 -4.2188784 3.6907917 ] [ -1.3039875 3.3485359 -0.4290602 ] [ -8.3176242 2.6713845 -5.6069176 ] [ -0.5569777 4.9772498 1.257933 ] [ 4.1362855 -4.3202191 -2.1007635 ] [ 1.7031699 -1.5124493 0.9667914 ] [ 4.2886665 -0.9456234 2.2212252 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.085768905873159e-11 -6.759388394167306e-09 5.913300222701138e-09 ] [ -2.089218303528075e-09 5.36494597709016e-09 -6.874302270193667e-10 ] [ -1.332630314363294e-08 4.280029826329772e-09 -8.983272367483357e-09 ] [ -8.923766565990618e-10 7.974433331141173e-09 2.015430859737522e-09 ] [ 6.627059979653005e-09 -6.921754095780509e-09 -3.365794193260058e-09 ] [ 2.728779017512116e-09 -2.423210928569656e-09 1.548970591032148e-09 ] [ 6.871201257318559e-09 -1.515055716043636e-09 3.558795114291977e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.777389 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.688034063532862e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6578874 2.7673701 3.3862798 ] [ 2.8923786 5.5573381 0.8995236 ] [ 0.8285267 4.1705462 1.4293474 ] [ 2.0942666 5.2192567 3.302156 ] [ 3.0609813 3.0341217 1.3256221 ] [ 5.0535622 4.477705 1.5162367 ] [ 4.0467961 3.6041952 3.6233874 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6578874e-10 2.7673701e-10 3.3862798e-10 ] [ 2.8923786e-10 5.5573381e-10 8.995236e-11 ] [ 8.285267e-11 4.170546200000001e-10 1.4293474e-10 ] [ 2.0942666e-10 5.2192567e-10 3.302156e-10 ] [ 3.0609813e-10 3.0341217e-10 1.3256221e-10 ] [ 5.0535622e-10 4.477705000000001e-10 1.5162367e-10 ] [ 4.0467961e-10 3.6041952e-10 3.6233874e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.12e-05 -7.9e-05 -1.82e-05 ] [ -3.28e-05 3.51e-05 -9.69e-05 ] [ -6.82e-05 3.7e-05 2.8e-06 ] [ 7.84e-05 2.05e-05 -1.48e-05 ] [ 3.68e-05 5.5e-06 -1.37e-05 ] [ -4.04e-05 -6.4e-06 2.8e-05 ] [ 3.73e-05 -1.28e-05 0.0001128 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.79443783008e-14 -1.26571954086e-13 -2.915961473879999e-14 ] [ -5.255139359519999e-14 5.62363998534e-14 -1.552509158346e-13 ] [ -1.092684464388e-13 5.9280535458e-14 4.486094575199999e-15 ] [ 1.256106481056e-13 3.2844620997e-14 -2.37122141832e-14 ] [ 5.896010013119999e-14 8.811971486999999e-15 -2.19498198858e-14 ] [ -6.472793601359999e-14 -1.02539304576e-14 4.486094575199999e-14 ] [ 5.97611884482e-14 -2.05078609152e-14 1.807255243152e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.649797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.468679888424329e-18 } }