{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.9094305 7.3242295 -29.2500516 ] [ -13.9406744 -8.7756447 3.7651376 ] [ -17.3878008 21.1974233 1.3974484 ] [ 9.7661327 -9.9544981 -10.6570529 ] [ 3.8664229 -27.8152528 21.8240154 ] [ 25.7043436 10.5455862 1.4144523 ] [ 1.9010065 7.4781566 11.5060509 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.587665787254245e-08 1.173470927027367e-08 -4.686374883071363e-08 ] [ -2.233542260186507e-08 -1.406013277078743e-08 6.032415436815022e-09 ] [ -2.785832792888754e-08 3.396201603246119e-08 2.238959155254367e-09 ] [ 1.564706948757038e-08 -1.594886412761802e-08 -1.707448100300884e-08 ] [ 6.194692376505736e-09 -4.456494773780174e-08 3.496592724585916e-08 ] [ 4.118289836893011e-08 1.689589166227112e-08 2.266202406296788e-09 ] [ 3.045748170288835e-09 1.198132767120122e-08 1.84347257497148e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.7965963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.569587755527578e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.615435 3.0400616 1.0276645 ] [ 1.2069348 1.610644 4.0858042 ] [ 1.6378819 3.7049419 3.0749533 ] [ 4.2898462 1.6750156 1.9879114 ] [ 2.9948434 0.2421495 3.353011 ] [ 5.3057799 3.181547 3.5017959 ] [ 3.5179039 4.5500305 4.2346828 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.615435e-10 3.0400616e-10 1.0276645e-10 ] [ 1.2069348e-10 1.610644e-10 4.0858042e-10 ] [ 1.6378819e-10 3.7049419e-10 3.0749533e-10 ] [ 4.289846200000001e-10 1.6750156e-10 1.9879114e-10 ] [ 2.9948434e-10 2.421495e-11 3.353011e-10 ] [ 5.3057799e-10 3.181547e-10 3.5017959e-10 ] [ 3.5179039e-10 4.5500305e-10 4.2346828e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-06 -2.09e-05 -1.41e-05 ] [ 3.02e-05 -1.2e-06 1.78e-05 ] [ -9e-07 -3.9e-06 1.8e-05 ] [ -1.99e-05 -5.9e-06 2.71e-05 ] [ -2.73e-05 2.26e-05 -5.06e-05 ] [ 3.34e-05 1.49e-05 2.9e-05 ] [ -1.67e-05 -5.6e-06 -2.72e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.92261194496e-15 -3.348549137472e-14 -2.259069035328e-14 ] [ 4.838573394816e-14 -1.92261194496e-15 2.851874385024e-14 ] [ -1.44195895872e-15 -6.24848882112e-15 2.88391791744e-14 ] [ -3.188331475392e-14 -9.45284206272e-15 4.341898642368e-14 ] [ -4.373942174784e-14 3.620919163008e-14 -8.107013701248e-14 ] [ 5.351269913472e-14 2.387243164992e-14 4.64631220032e-14 ] [ -2.675634956736e-14 -8.972189076479999e-15 -4.357920408576e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }