{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1566283 0.5933374 0.8739195 ] [ 1.297564 0.9258578 2.544594 ] [ 0.4571517 2.983075 2.098516 ] [ 2.386894 1.49419 0.7409216 ] [ 2.718839 0.4423949 1.931638 ] [ 1.685227 2.953094 0.1464224 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.566283e-11 5.933374e-11 8.739195e-11 ] [ 1.297564e-10 9.258578e-11 2.544594e-10 ] [ 4.571517e-11 2.983075e-10 2.098516e-10 ] [ 2.386894e-10 1.49419e-10 7.409215999999999e-11 ] [ 2.718839e-10 4.423949e-11 1.931638e-10 ] [ 1.685227e-10 2.953094e-10 1.464224e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7052041 0.3667733 -2.94956 ] [ -15.2478154 3.2761048 14.3656789 ] [ -1.8786471 2.023145 -0.3539712 ] [ 4.5225587 1.4536653 -12.4129897 ] [ 20.5174069 -19.2889485 6.9439781 ] [ -6.208299 12.1692601 -5.5931362 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.732038142712305e-09 5.876356063936647e-10 -4.725716073646848e-09 ] [ -2.44296933521542e-08 5.24889851785066e-09 2.301635487549986e-08 ] [ -3.00992446235372e-09 3.241435619488416e-09 -5.671243810765209e-10 ] [ 7.245937815335642e-09 2.329028558128218e-09 -1.988780189157121e-08 ] [ 3.28725096546206e-08 -3.090430232651523e-08 1.11254793671672e-08 ] [ -9.94679151273602e-09 1.949730402465427e-08 -8.961192056590154e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.7552101 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.562956955321203e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0288551 1.3524467 0.5680732 ] [ 1.0200821 0.5493245 2.585425 ] [ 0.4137454 2.9207218 2.296605 ] [ 2.3120796 0.7069914 0.3082292 ] [ 3.3150153 0.7954526 2.3939571 ] [ 1.6125264 3.067012 0.1837219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.88551e-12 1.3524467e-10 5.680732e-11 ] [ 1.0200821e-10 5.493245e-11 2.585425e-10 ] [ 4.137454e-11 2.9207218e-10 2.296605e-10 ] [ 2.3120796e-10 7.069914e-11 3.082292e-11 ] [ 3.3150153e-10 7.954526e-11 2.3939571e-10 ] [ 1.6125264e-10 3.067012e-10 1.837219e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 1.93e-05 -2.5e-05 ] [ -2.11e-05 -1.56e-05 -2.4e-06 ] [ -7.2e-06 1.22e-05 3.5e-05 ] [ 5e-06 -2.77e-05 -2e-06 ] [ 4.47e-05 5.4e-06 1.95e-05 ] [ -1.38e-05 6.5e-06 -2.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233675998016e-14 3.092200878144e-14 -4.005441552e-14 ] [ -3.380592669888e-14 -2.499395528448e-14 -3.84522388992e-15 ] [ -1.153567166976e-14 1.954655477376e-14 5.6076181728e-14 ] [ 8.010883104e-15 -4.438029239616e-14 -3.2043532416e-15 ] [ 7.161729494976001e-14 8.65175375232e-15 3.12424441056e-14 ] [ -2.211003736704e-14 1.04141480352e-14 -4.037485084416e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.467726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.08037951821403e-18 } }