{ "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" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.7571483 6.229396 -12.7764634 ] [ 2.2902026 -4.0701298 15.052733 ] [ 7.0827297 -3.5830463 -2.7478387 ] [ -8.9189777 11.2847849 -11.1859768 ] [ 11.3031937 -9.8610048 11.6575458 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.883702828873282e-08 9.980592715133064e-09 -2.047015112463619e-08 ] [ 3.669309092846048e-09 -6.521066862907092e-09 2.411713709044072e-08 ] [ 1.134778403027783e-08 -5.740673060400154e-09 -4.402522959140935e-09 ] [ -1.428977767010706e-08 1.808021868649602e-08 -1.792191065742609e-08 ] [ 1.8109712835716e-08 -1.579907147832184e-08 1.867744749054483e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.989226867310327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.789269440529624e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.107108 0.9900694 0.8658688 ] [ 0.4495391 0.4657263 3.1224284 ] [ 1.9239726 -0.1979377 0.4914231 ] [ 1.4459138 2.7456998 1.2933422 ] [ 2.6533926 1.0189265 2.4055891 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.07108e-11 9.900694000000001e-11 8.658688e-11 ] [ 4.495391000000001e-11 4.657263e-11 3.1224284e-10 ] [ 1.9239726e-10 -1.979377e-11 4.914231e-11 ] [ 1.4459138e-10 2.7456998e-10 1.2933422e-10 ] [ 2.6533926e-10 1.0189265e-10 2.4055891e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.65e-05 -9.2e-06 1.66e-05 ] [ 7.9e-06 5.3e-06 -4e-06 ] [ -1.49e-05 1.95e-05 -5.5e-06 ] [ -1e-07 -1.1e-05 -9.1e-06 ] [ -2.94e-05 -4.7e-06 2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.847944714099999e-14 -1.47400250328e-14 2.65961321244e-14 ] [ 1.26571954086e-14 8.4915361602e-15 -6.408706535999999e-15 ] [ -2.38724318466e-14 3.1242444363e-14 -8.811971486999999e-15 ] [ -1.602176634e-16 -1.7623942974e-14 -1.45798073694e-14 ] [ -4.710399303959999e-14 -7.530230179799999e-15 3.204353268e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.674324432689673 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.03065064577907e-18 } }