{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.137834 0.6178187 0.8180482 ] [ 0.8147489 0.2195668 2.521416 ] [ 0.6602072 2.742467 0.5700192 ] [ 2.747217 2.135327 0.0253318 ] [ 2.249122 2.278269 1.668886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.137834e-10 6.178187000000001e-11 8.180482000000001e-11 ] [ 8.147489e-11 2.195668e-11 2.521416e-10 ] [ 6.602072e-11 2.742467e-10 5.700191999999999e-11 ] [ 2.747217e-10 2.135327e-10 2.53318e-12 ] [ 2.249122e-10 2.278269e-10 1.668886e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3920183 -14.4824667 -11.7814971 ] [ -5.4667856 -9.3368256 16.0127271 ] [ -15.9876777 13.5625283 -6.0278743 ] [ 15.6310168 1.9162085 -17.5628912 ] [ 10.2154647 8.3405555 19.3595355 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.036789038385762e-09 -2.320346955825453e-08 -1.8876039211643e-08 ] [ -8.7587560792461e-09 -1.495924368880693e-08 2.565521699487058e-08 ] [ -2.561508343182552e-08 2.172956576119837e-08 -9.657719276581165e-09 ] [ 2.504364967629203e-08 3.070104459278237e-09 -2.813885367429405e-08 ] [ 1.636697871294768e-08 1.336304302658485e-08 3.101739516764764e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 65.062937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.042423165419833e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.5778125 -1.2559913 -0.8657514 ] [ -0.0242632 -0.7379628 4.5765965 ] [ -0.8445285 4.0418105 0.1213232 ] [ 4.4318871 2.5574408 -1.7897884 ] [ 3.4682213 3.3881514 3.5613213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.778125e-11 -1.2559913e-10 -8.657514e-11 ] [ -2.42632e-12 -7.379628e-11 4.5765965e-10 ] [ -8.445285000000001e-11 4.041810500000001e-10 1.213232e-11 ] [ 4.4318871e-10 2.5574408e-10 -1.7897884e-10 ] [ 3.4682213e-10 3.3881514e-10 3.5613213e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 -0.0 -0.0 ] [ -0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -8.8817842e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.423018699623083e-34 } }