{ "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" [ [ -4.8700159 -14.015159 13.3963221 ] [ -2.9146796 12.7791084 -4.0233287 ] [ -20.9593255 2.3350553 -16.2694777 ] [ 1.7191817 16.9975772 8.2701781 ] [ 8.9210255 -14.6404305 -6.6722497 ] [ 9.9418545 -0.9544337 2.0231347 ] [ 8.1619593 -2.5017177 3.2754213 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.802625617904272e-09 -2.245476008659471e-08 2.146327407332636e-08 ] [ -4.669831512242696e-09 2.047438871314889e-08 -6.446083180933658e-09 ] [ -3.358054130383727e-08 3.741171009935131e-09 -2.606657680356696e-08 ] [ 2.7544327266472e-09 2.723312080008312e-08 1.325028600167217e-08 ] [ 1.429305848966063e-08 -2.345655546554725e-08 -1.069012247747981e-08 ] [ 1.592860684729527e-08 -1.529171360243641e-09 3.241419117069222e-09 ] [ 1.307690037038113e-08 -4.008193610781548e-09 5.247803430130344e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.214053 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.79668935410121e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2834462 2.9282976 3.8447274 ] [ 2.8644637 5.6722176 0.9006132 ] [ 0.9409753 3.8559225 1.4416932 ] [ 2.1906199 5.4311594 3.4070772 ] [ 3.2963823 2.8940052 0.8748312 ] [ 5.1803684 4.6980522 1.5638943 ] [ 3.8781431 3.3508785 3.4497166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2834462e-10 2.9282976e-10 3.8447274e-10 ] [ 2.8644637e-10 5.6722176e-10 9.006132000000001e-11 ] [ 9.409753e-11 3.8559225e-10 1.4416932e-10 ] [ 2.1906199e-10 5.431159400000001e-10 3.4070772e-10 ] [ 3.2963823e-10 2.8940052e-10 8.748312000000001e-11 ] [ 5.1803684e-10 4.698052200000001e-10 1.5638943e-10 ] [ 3.8781431e-10 3.3508785e-10 3.4497166e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.12e-05 2.7e-05 -1.41e-05 ] [ 1.77e-05 3.55e-05 -2.7e-05 ] [ 6.9e-06 -3.6e-06 2.86e-05 ] [ -4.26e-05 -2.24e-05 -1.22e-05 ] [ -9.8e-06 3.8e-06 2.91e-05 ] [ -6e-07 -8e-06 1.08e-05 ] [ -4.28e-05 -3.23e-05 -1.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1407497540096e-13 4.32587687616e-14 -2.259069035328e-14 ] [ 2.835852618816e-14 5.68772700384e-14 -4.32587687616e-14 ] [ 1.105501868352e-14 -5.76783583488e-15 4.582225135488e-14 ] [ -6.825272404608e-14 -3.588875630592e-14 -1.954655477376e-14 ] [ -1.570133088384e-14 6.08827115904e-15 4.662333966527999e-14 ] [ -9.6130597248e-16 -1.28174129664e-14 1.730350750464e-14 ] [ -6.857315937023999e-14 -5.175030485184e-14 -2.451330229824e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.71534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.799616330232307e-18 } }