{ "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" [ [ -12.8894439 -7.6778815 -17.7904553 ] [ -7.7202551 -3.6845789 1.7399161 ] [ 12.5140435 -6.8824496 11.944391 ] [ -14.0177083 11.185723 -6.4220539 ] [ 14.0756573 1.1492434 -8.1309628 ] [ -1.2674032 -9.8441922 14.5821381 ] [ 9.3051098 15.7541359 4.0770268 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.065116567169317e-08 -1.230132223657284e-08 -2.850345155504745e-08 ] [ -1.236921222783197e-08 -5.903346171072981e-09 2.787652897573515e-09 ] [ 2.00497079273742e-08 -1.102689984295431e-08 1.913702400989393e-08 ] [ -2.245884451545411e-08 1.792150387734484e-08 -1.028926461609746e-08 ] [ 2.255168904845285e-08 1.841290907088703e-09 -1.302723850275451e-08 ] [ -2.030603776167107e-09 -1.577213459350172e-08 2.336316074509693e-08 ] [ 1.490842937553697e-08 2.524090821988597e-08 6.532117021335037e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.684939 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.872133608127413e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5656932 2.4556165 1.1318296 ] [ 0.8691532 2.0850447 3.0549272 ] [ 3.6341346 3.4971326 4.8869091 ] [ 1.3978058 4.4016316 3.9106653 ] [ 5.1012947 2.3673931 2.0016737 ] [ 3.3118644 1.3275403 3.5944048 ] [ 3.5938672 4.5338303 2.4249503 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5656932e-10 2.4556165e-10 1.1318296e-10 ] [ 8.691532e-11 2.0850447e-10 3.0549272e-10 ] [ 3.6341346e-10 3.4971326e-10 4.8869091e-10 ] [ 1.3978058e-10 4.4016316e-10 3.9106653e-10 ] [ 5.101294700000001e-10 2.3673931e-10 2.0016737e-10 ] [ 3.3118644e-10 1.3275403e-10 3.5944048e-10 ] [ 3.5938672e-10 4.5338303e-10 2.4249503e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.57e-05 -4.4e-06 1.93e-05 ] [ -3.31e-05 2e-06 -9.5e-06 ] [ -1.17e-05 1.11e-05 1.46e-05 ] [ -1.3e-06 1.15e-05 2.22e-05 ] [ -5.08e-05 -1.47e-05 -1.11e-05 ] [ 4.23e-05 7e-07 -2.16e-05 ] [ -1.1e-06 -6.1e-06 -1.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.924123777856e-14 -7.04957713152e-15 3.092200878144e-14 ] [ -5.303204614848e-14 3.2043532416e-15 -1.52206778976e-14 ] [ -1.874546646336e-14 1.778416049088e-14 2.339177866368e-14 ] [ -2.08282960704e-15 1.84250311392e-14 3.556832098176e-14 ] [ -8.139057233664001e-14 -2.355199632576e-14 -1.778416049088e-14 ] [ 6.777207105984e-14 1.12152363456e-15 -3.460701500928e-14 ] [ -1.76239428288e-15 -9.77327738688e-15 -2.227025502912e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.755005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.805971363798711e-18 } }