{ "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" [ [ 2.180035 1.415878 2.755479 ] [ 0.3300308 2.592052 2.653614 ] [ 2.100058 3.620481 1.423788 ] [ 2.171562 4.236408 3.751897 ] [ 3.719666 3.140383 2.648489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.180035e-10 1.415878e-10 2.755479e-10 ] [ 3.300308e-11 2.592052e-10 2.653614e-10 ] [ 2.100058e-10 3.620481e-10 1.423788e-10 ] [ 2.171562e-10 4.236408e-10 3.751897e-10 ] [ 3.719666e-10 3.140383e-10 2.648489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5941981 -13.5240149 3.6390772 ] [ -9.1930563 -0.4475524 1.2126347 ] [ -5.3808562 9.3286339 -16.5891559 ] [ -2.1551604 6.3846581 8.2806689 ] [ 15.1348748 -1.7417247 3.4567751 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.55418692474378e-09 -2.166786049213085e-08 5.830444411126325e-09 ] [ -1.472889987755815e-08 -7.170579918629299e-10 1.942854965910822e-09 ] [ -8.621082003526729e-09 1.494611913858232e-08 -2.657875774178639e-08 ] [ -3.452947606953977e-09 1.022934993962135e-08 1.326709411616565e-08 ] [ 2.424874256329508e-08 -2.790550594209894e-09 5.538364248583583e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 8.8140116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.412160332098e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4624947 1.082024 2.847608 ] [ -0.159095 2.0219546 2.7790449 ] [ 2.4151819 3.8618657 1.0099446 ] [ 2.5336026 4.2659802 3.9385491 ] [ 4.2491675 3.7733774 2.6581205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4624947e-10 1.082024e-10 2.847608e-10 ] [ -1.59095e-11 2.0219546e-10 2.7790449e-10 ] [ 2.4151819e-10 3.8618657e-10 1.0099446e-10 ] [ 2.5336026e-10 4.265980200000001e-10 3.9385491e-10 ] [ 4.249167500000001e-10 3.7733774e-10 2.6581205e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.3572664 0.2070842 -0.0151057 ] [ 0.3572664 -0.2070842 0.0151057 ] [ 1.5103905 -0.0487736 1.523335 ] [ 0.7337139 -0.2364418 -0.7250402 ] [ -2.2441044 0.2852154 -0.7982948 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.724038734773811e-10 3.317854637770713e-10 -2.420199938081856e-11 ] [ 5.724038734773811e-10 -3.317854637770713e-10 2.420199938081856e-11 ] [ 2.419912347378422e-09 -7.814392163225088e-11 2.440651722646368e-09 ] [ 1.175539256935989e-09 -3.788215241398695e-10 -1.161642457580156e-09 ] [ -3.595451604314411e-09 4.569654457721204e-10 -1.279009265066212e-09 ] ] } "relaxed-potential-energy" { "source-value" -18.822464 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.015691176664965e-18 } }