{ "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" [ [ 0.1854996 0.4736791 1.206297 ] [ 0.6742688 0.1009159 2.297624 ] [ 0.6067687 1.83215 2.754335 ] [ 0.1838578 2.712055 1.507331 ] [ 1.981528 1.354685 0.3328332 ] [ 2.901733 2.736996 1.329123 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.854996e-11 4.736791e-11 1.206297e-10 ] [ 6.742688e-11 1.009159e-11 2.297624e-10 ] [ 6.067687000000001e-11 1.83215e-10 2.754335e-10 ] [ 1.838578e-11 2.712055e-10 1.507331e-10 ] [ 1.981528e-10 1.354685e-10 3.328332e-11 ] [ 2.901733e-10 2.736996e-10 1.329123e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -41.6239278 9.5831303 -97.8558563 ] [ 39.2277992 -49.6941294 87.1302911 ] [ 10.5655033 2.4384957 39.433282 ] [ -10.2475377 36.2805599 -26.4168512 ] [ -1.3175245 -3.1053912 -5.0311797 ] [ 3.3956876 4.4973347 2.7403142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.668888398702717e-08 1.535386732074009e-08 -1.567823651722244e-07 ] [ 6.284986276367694e-08 -7.961877231568993e-08 1.395981153639183e-07 ] [ 1.692780237424525e-08 3.906900800461331e-09 6.317908250181347e-08 ] [ -1.641836532370661e-08 5.812786486131399e-08 -4.232446138779243e-08 ] [ -2.11090695123121e-09 -4.975385179078057e-09 -8.060838490383557e-09 ] [ 5.440491284260462e-09 7.205524512252581e-09 4.390467344886255e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 38.824354 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.220347229646297e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8215744 -0.3841259 0.7169988 ] [ 0.1428677 -0.3282002 2.8160236 ] [ 0.3412112 1.8457748 3.1730208 ] [ 0.324338 3.6419195 1.9081029 ] [ 1.7571658 1.4740296 -0.0150474 ] [ 3.1464988 2.9610833 0.8284445 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.215744000000001e-11 -3.841259e-11 7.169988e-11 ] [ 1.428677e-11 -3.282002e-11 2.8160236e-10 ] [ 3.412112e-11 1.8457748e-10 3.1730208e-10 ] [ 3.24338e-11 3.6419195e-10 1.9081029e-10 ] [ 1.7571658e-10 1.4740296e-10 -1.50474e-12 ] [ 3.1464988e-10 2.9610833e-10 8.284445e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0943604 0.1257926 -0.2068811 ] [ 0.0534792 0.6895258 0.1301422 ] [ -0.2809557 -0.8183447 0.2004048 ] [ 0.0268528 0.2843685 0.0545364 ] [ 0.3078076 -0.1819042 0.1206085 ] [ -0.2015443 -0.099438 -0.2988108 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.511820268093363e-10 2.015419627896461e-10 -3.314600617053869e-10 ] [ 8.568312393908735e-11 1.104742116198417e-09 2.085107902194778e-10 ] [ -4.501406540204985e-10 -1.31113274609559e-09 3.210838852560999e-10 ] [ 4.302292836301824e-11 4.556085623919648e-10 8.737694506259713e-11 ] [ 4.931621404245581e-10 -2.914426564653273e-10 1.932361189697568e-10 ] [ -3.229095655155014e-10 -1.593172388191104e-10 -4.787476778025446e-10 ] ] } "relaxed-potential-energy" { "source-value" -12.698633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.034545290871937e-18 } }