{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8163393 0.199257 2.4897239 ] [ 0.600912 -0.6784572 -0.1307018 ] [ -1.5475511 1.8459202 -1.1089286 ] [ 4.2322482 -1.9872236 -1.2754345 ] [ -0.1928646 0.8937599 -0.9372967 ] [ -0.7723503 -0.3967645 -0.6349103 ] [ 0.495945 0.1235083 1.5975479 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.512272982700237e-09 3.192449069307456e-10 3.988977424826997e-09 ] [ 9.627671575581696e-10 -1.08700826405343e-09 -2.094073682564775e-10 ] [ -2.479450191913323e-09 2.95749018830246e-09 -1.776699477056475e-09 ] [ 6.780809119462882e-09 -3.183883192222011e-09 -2.043471337261738e-09 ] [ -3.090031530999437e-10 1.431961216388546e-09 -1.501714859492992e-09 ] [ -1.237441593727866e-09 -6.356868058634017e-10 -1.017238438965114e-09 ] [ 7.945914842026561e-10 1.978821107347526e-10 2.559553895988136e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.5872661589289265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.951787214022944e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5820891 2.492194 3.5897212 ] [ 1.5721599 4.5515893 3.1361609 ] [ 2.9038508 3.6619102 1.4326797 ] [ 4.8026508 2.2916438 2.3925343 ] [ 4.6904248 2.5633507 4.7978211 ] [ 5.2059758 4.4375337 1.3416814 ] [ 6.0167677 4.0604263 3.5328164 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5820891e-10 2.492194e-10 3.5897212e-10 ] [ 1.5721599e-10 4.5515893e-10 3.1361609e-10 ] [ 2.9038508e-10 3.6619102e-10 1.4326797e-10 ] [ 4.8026508e-10 2.2916438e-10 2.3925343e-10 ] [ 4.6904248e-10 2.5633507e-10 4.797821100000001e-10 ] [ 5.2059758e-10 4.437533700000001e-10 1.3416814e-10 ] [ 6.0167677e-10 4.0604263e-10 3.5328164e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.81e-05 8.9e-06 -1.06e-05 ] [ -1.42e-05 2.7e-06 1.6e-06 ] [ -4e-06 -8.8e-06 1.27e-05 ] [ 1.1e-05 -2.3e-06 1.04e-05 ] [ 5.8e-06 -5.9e-06 -1.51e-05 ] [ 6e-06 -2.2e-06 3.4e-06 ] [ 1.35e-05 7.5e-06 -2.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.899939683648e-14 1.425937192512e-14 -1.698307218048e-14 ] [ -2.275090801536e-14 4.32587687616e-15 2.56348259328e-15 ] [ -6.4087064832e-15 -1.409915426304e-14 2.034764308416e-14 ] [ 1.76239428288e-14 -3.68500622784e-15 1.666263685632e-14 ] [ 9.292624400640001e-15 -9.45284206272e-15 -2.419286697408e-14 ] [ 9.6130597248e-15 -3.52478856576e-15 5.44740051072e-15 ] [ 2.16293843808e-14 1.2016324656e-14 -3.84522388992e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.532299158928929 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.206807361330743e-18 } }