{ "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" [ [ 2.638378 0.8784031 3.89936 ] [ 3.076863 3.046669 3.275657 ] [ 5.153788 2.352253 2.384418 ] [ 4.273122 0.1786437 2.239865 ] [ 4.529593 1.652308 4.599133 ] [ 5.775659 4.557099 1.971672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.638378e-10 8.784031e-11 3.89936e-10 ] [ 3.076863e-10 3.046669e-10 3.275657e-10 ] [ 5.153788e-10 2.352253e-10 2.384418e-10 ] [ 4.273122e-10 1.786437e-11 2.239865e-10 ] [ 4.529593e-10 1.652308e-10 4.599133e-10 ] [ 5.775659e-10 4.557099e-10 1.971672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0241338 1.3162475 -2.9150491 ] [ 1.5921492 -2.5961947 -2.3018625 ] [ -5.1432479 2.5646728 0.688419 ] [ 2.734949 10.9641673 2.1407081 ] [ 4.079629 -0.1708885 0.2091526 ] [ -3.2876131 -12.0780045 2.1786319 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.866661013106304e-11 2.108860971686448e-09 -4.670423516504081e-09 ] [ 2.550904225065423e-09 -4.159562451384869e-09 -3.68799028179624e-09 ] [ -8.240391540358697e-09 4.109058800161674e-09 1.102968827114515e-09 ] [ 4.381871346880339e-09 1.756653251459986e-08 3.429792469777188e-09 ] [ 6.536286205337682e-09 -2.737935594635808e-10 3.35099405899534e-10 ] [ -5.267336847055813e-09 -1.93510964358172e-08 3.490553095509084e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.5585263 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.211009412556193e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.5150898 0.9922783 4.3398102 ] [ 3.3286457 2.965931 3.3231749 ] [ 4.7410843 3.1353643 1.6077067 ] [ 4.7552577 1.0895951 2.4915326 ] [ 3.2336592 -0.0680551 6.2491599 ] [ 5.8736663 4.5502622 0.3587206 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.5150898e-10 9.922783e-11 4.3398102e-10 ] [ 3.3286457e-10 2.965931e-10 3.3231749e-10 ] [ 4.7410843e-10 3.1353643e-10 1.6077067e-10 ] [ 4.7552577e-10 1.0895951e-10 2.4915326e-10 ] [ 3.2336592e-10 -6.80551e-12 6.249159900000001e-10 ] [ 5.8736663e-10 4.5502622e-10 3.587206e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0178702 -0.0737763 0.135644 ] [ 0.0893766 -0.0382425 -0.0400106 ] [ -0.0289024 -0.0465257 0.0555649 ] [ -0.0167984 0.1014927 0.0218556 ] [ -0.0343781 0.011645 -0.0851725 ] [ 0.0085724 0.0454068 -0.0878814 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.863121664902016e-11 -1.182026630291271e-10 2.173256455517952e-10 ] [ 1.431970989665933e-10 -6.127123942094399e-11 -6.410404790418048e-11 ] [ -4.630674956500993e-11 -7.454238880635457e-11 8.902478371708993e-11 ] [ -2.691400374684672e-11 1.626092311218682e-10 3.501653135355648e-11 ] [ -5.507978808752448e-11 1.8657346749216e-11 -1.36461388235088e-10 ] [ 1.373449886414592e-11 7.274971338534143e-11 -1.408015244831731e-10 ] ] } "relaxed-potential-energy" { "source-value" -12.761726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.04465390382555e-18 } }