{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6159745 -2.6326211 -1.6353713 ] [ -1.4751507 -2.4859744 3.4677325 ] [ 8.1550457 3.3510788 -0.2778182 ] [ 0.3085545 1.1914444 0.6609542 ] [ 3.4858714 -0.4585449 -4.575321 ] [ 2.3855374 2.9064402 2.6857856 ] [ -8.2438838 -1.8718229 -0.3259617 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.395606487039833e-09 -4.217924012595377e-09 -2.620153684774204e-09 ] [ -2.363451983168744e-09 -3.982970096402169e-09 5.555919984462404e-09 ] [ 1.306582366974217e-08 5.369020152052758e-09 -4.451138285399388e-10 ] [ 4.94358810215553e-10 1.908904378390149e-09 1.058965375384163e-09 ] [ 5.584981706208867e-09 -7.346699244198665e-10 -7.330472399249513e-09 ] [ 3.822052281813111e-09 4.656630576558287e-09 4.30310293225367e-09 ] [ -1.320815799777113e-08 -2.998990913366118e-09 -5.222482193189178e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.487964 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.161010076103317e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.408037 2.3321491 2.4144617 ] [ 2.1982028 1.2707712 4.694888 ] [ 2.5714273 4.5696813 2.124791 ] [ 2.001751 3.8930432 4.5041997 ] [ 3.7537545 1.2364494 2.5664298 ] [ 4.3474623 2.7973542 4.656153 ] [ 4.7544332 3.5499875 2.2661979 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.408037e-10 2.3321491e-10 2.4144617e-10 ] [ 2.1982028e-10 1.2707712e-10 4.694888e-10 ] [ 2.5714273e-10 4.5696813e-10 2.124791e-10 ] [ 2.001751e-10 3.893043200000001e-10 4.5041997e-10 ] [ 3.7537545e-10 1.2364494e-10 2.5664298e-10 ] [ 4.3474623e-10 2.7973542e-10 4.656153e-10 ] [ 4.754433200000001e-10 3.5499875e-10 2.2661979e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.03e-05 -2.81e-05 4.8e-06 ] [ 2.77e-05 3.01e-05 -2.8e-06 ] [ 1.72e-05 2.54e-05 -2.29e-05 ] [ -9.1e-06 -1.7e-05 -3.7e-06 ] [ -3.85e-05 -5.7e-06 -2.6e-06 ] [ 5.6e-06 -2.3e-05 1.52e-05 ] [ -1.32e-05 1.83e-05 1.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.65024193302e-14 -4.50211634154e-14 7.690447843199998e-15 ] [ 4.438029276179999e-14 4.82255166834e-14 -4.486094575199999e-15 ] [ 2.75574381048e-14 4.06952865036e-14 -3.66898449186e-14 ] [ -1.45798073694e-14 -2.723700277799999e-14 -5.9280535458e-15 ] [ -6.168380040899999e-14 -9.1324068138e-15 -4.165659248399999e-15 ] [ 8.972189150399999e-15 -3.6850062582e-14 2.43530848368e-14 ] [ -2.11487315688e-14 2.93198324022e-14 1.9226119608e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.011061 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.725472445374867e-18 } }