{ "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" [ [ 2.611679 2.016684 2.717461 ] [ 4.323341 0.727724 2.330974 ] [ 4.46399 3.048062 1.959515 ] [ 3.51112 1.5374 4.631239 ] [ 3.533059 3.74018 3.907793 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.611679e-10 2.016684e-10 2.717461e-10 ] [ 4.323341e-10 7.27724e-11 2.330974e-10 ] [ 4.46399e-10 3.048062e-10 1.959515e-10 ] [ 3.51112e-10 1.5374e-10 4.631239e-10 ] [ 3.533059e-10 3.74018e-10 3.907793e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.2409199 0.0654434 -4.4548702 ] [ 4.3021202 -5.2842269 -0.8909253 ] [ 4.6264893 2.9875274 -4.4846578 ] [ 2.0835015 -3.5237072 6.165442 ] [ 0.228809 5.7549633 3.6650113 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.800993906006547e-08 1.048518854656627e-10 -7.137488883138621e-09 ] [ 6.892756404311421e-09 -8.46626479818246e-09 -1.427419686539226e-09 ] [ 7.412452992841358e-09 4.78654655427941e-09 -7.185213879448363e-09 ] [ 3.338137392701731e-09 -5.64560129438463e-09 9.878127029298393e-09 ] [ 3.665924304286272e-10 9.220467652822018e-09 5.871995419827816e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5861466 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.055217010368141e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2472274 2.0780721 2.5577634 ] [ 4.4905202 0.6862633 2.4784488 ] [ 4.5375794 3.120496 1.7556242 ] [ 3.5604007 1.3754923 4.7389857 ] [ 3.6074612 3.8097263 4.0161599 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2472274e-10 2.0780721e-10 2.5577634e-10 ] [ 4.4905202e-10 6.862633e-11 2.4784488e-10 ] [ 4.5375794e-10 3.120496000000001e-10 1.7556242e-10 ] [ 3.5604007e-10 1.3754923e-10 4.7389857e-10 ] [ 3.6074612e-10 3.8097263e-10 4.0161599e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.2e-06 2.8e-06 -5.9e-06 ] [ -3.3e-06 -2.8e-06 3.7e-06 ] [ -2.9e-06 2.2e-06 -3e-06 ] [ 3.8e-06 6e-07 2.1e-06 ] [ -1.8e-06 -2.7e-06 3.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.72914180736e-15 4.48609453824e-15 -9.45284206272e-15 ] [ -5.28718284864e-15 -4.48609453824e-15 5.928053496960001e-15 ] [ -4.646312200320001e-15 3.52478856576e-15 -4.8065298624e-15 ] [ 6.08827115904e-15 9.6130597248e-16 3.36457090368e-15 ] [ -2.88391791744e-15 -4.32587687616e-15 5.126965186560001e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.338031 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.656335157330565e-18 } }