{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0246806 -2.3933922 -3.1949144 ] [ 0.0464667 -0.5553946 0.3368997 ] [ 2.133602 -1.2031834 1.5300461 ] [ -2.2824285 1.7777084 -1.447128 ] [ 0.2658429 0.8284478 -0.6141206 ] [ -0.4835192 -1.3886284 1.9166413 ] [ 2.3447166 2.9344426 1.4725758 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.243895921907316e-09 -3.834637027245078e-09 -5.118817157137259e-09 ] [ 7.444786038572736e-11 -8.898402434385676e-10 5.397728228945338e-10 ] [ 3.418407242492122e-09 -1.927712314014655e-09 2.451404090166219e-09 ] [ -3.656853581347613e-09 2.848202837079775e-09 -2.318554648905062e-09 ] [ 4.259272791856723e-10 1.327319696713194e-09 -9.839296676716687e-10 ] [ -7.746831579479193e-10 -2.224827957458911e-09 3.070797881319719e-09 ] [ 3.756650118921665e-09 4.701495328799566e-09 2.359326519115857e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.604670158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.058184811673135e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4473253 2.8028933 1.5099139 ] [ 1.0309269 1.8335693 3.1501605 ] [ 3.4318987 3.533631 4.7672786 ] [ 1.5625524 4.1651872 3.4283329 ] [ 4.748737 2.3744763 1.9050678 ] [ 3.3444181 1.452011 3.6017428 ] [ 3.9079545 4.5064209 2.6428636 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4473253e-10 2.8028933e-10 1.5099139e-10 ] [ 1.0309269e-10 1.8335693e-10 3.1501605e-10 ] [ 3.4318987e-10 3.533631e-10 4.7672786e-10 ] [ 1.5625524e-10 4.1651872e-10 3.4283329e-10 ] [ 4.748737000000001e-10 2.3744763e-10 1.9050678e-10 ] [ 3.3444181e-10 1.452011e-10 3.6017428e-10 ] [ 3.9079545e-10 4.5064209e-10 2.6428636e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.5e-06 1.2e-06 -2.1e-06 ] [ -3.3e-06 1.1e-06 0.0 ] [ -3.9e-06 -3e-07 -6e-06 ] [ 3.8e-06 6e-07 6.8e-06 ] [ -2.4e-06 -9e-07 2.2e-06 ] [ 5e-06 5e-06 -7e-07 ] [ -5.6e-06 -6.7e-06 -2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.04141480352e-14 1.92261194496e-15 -3.36457090368e-15 ] [ -5.28718284864e-15 1.76239428288e-15 0.0 ] [ -6.24848882112e-15 -4.8065298624e-16 -9.6130597248e-15 ] [ 6.08827115904e-15 9.6130597248e-16 1.089480102144e-14 ] [ -3.84522388992e-15 -1.44195895872e-15 3.52478856576e-15 ] [ 8.010883104e-15 8.010883104e-15 -1.12152363456e-15 ] [ -8.972189076479999e-15 -1.073458335936e-14 -3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -8.097630158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.297383372452091e-18 } }