{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3768615 -1.7850816 -2.0492183 ] [ 0.4226291 0.1188379 0.1207141 ] [ 1.73461 -0.8285 1.2827281 ] [ -1.5585425 1.0015914 -1.3394572 ] [ 0.2923913 0.8316226 -0.5635176 ] [ -0.7255854 -1.0890906 1.3705505 ] [ 1.211359 1.7506203 1.1782004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.205975323554191e-09 -2.860016029303335e-09 -3.283209678225202e-09 ] [ 6.771264688684493e-10 1.903993066136286e-10 1.934053104143394e-10 ] [ 2.779151611102739e-09 -1.327403341269e-09 2.055156989595215e-09 ] [ -2.497060376595945e-09 1.604726337895347e-09 -2.146047028083065e-09 ] [ 4.684625088448842e-10 1.332406298026328e-09 -9.028547315677582e-10 ] [ -1.162515973851544e-09 -1.74491551162904e-09 2.195863986817017e-09 ] [ 1.940811085185606e-09 2.80480293966607e-09 1.887685151049453e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.939641 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.19468269005484e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3154734 3.125024 1.2891193 ] [ 1.3302954 1.7819883 3.0072979 ] [ 3.448549 3.5856229 4.8001817 ] [ 1.5871408 4.1288917 3.3978656 ] [ 4.4339014 2.2275025 1.9472842 ] [ 3.4772551 1.3609612 3.9492673 ] [ 3.8811979 4.4581984 2.6143439 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3154734e-10 3.125024e-10 1.2891193e-10 ] [ 1.3302954e-10 1.7819883e-10 3.007297900000001e-10 ] [ 3.448549e-10 3.5856229e-10 4.800181700000001e-10 ] [ 1.5871408e-10 4.1288917e-10 3.3978656e-10 ] [ 4.4339014e-10 2.2275025e-10 1.9472842e-10 ] [ 3.4772551e-10 1.3609612e-10 3.9492673e-10 ] [ 3.8811979e-10 4.4581984e-10 2.6143439e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.7e-06 1.86e-05 -1.14e-05 ] [ -6.2e-06 -5.4e-06 1.14e-05 ] [ -1.12e-05 1.06e-05 1.96e-05 ] [ -7.1e-06 2.27e-05 -1.7e-06 ] [ 1.85e-05 -1.55e-05 -2.34e-05 ] [ 1.47e-05 -3.28e-05 1.28e-05 ] [ -1.56e-05 1.8e-06 -7.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.07345834478e-14 2.98004853924e-14 -1.82648136276e-14 ] [ -9.9334951308e-15 -8.6517538236e-15 1.82648136276e-14 ] [ -1.79443783008e-14 1.69830723204e-14 3.140266202639999e-14 ] [ -1.13754541014e-14 3.636940959179999e-14 -2.7237002778e-15 ] [ 2.9640267729e-14 -2.4833737827e-14 -3.749093323559999e-14 ] [ 2.35519965198e-14 -5.255139359519999e-14 2.05078609152e-14 ] [ -2.49939554904e-14 2.8839179412e-15 -1.16958894282e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319343288959e-18 } }