{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5417379 -11.0591994 2.5126669 ] [ 1.2877374 6.8468253 -9.5613585 ] [ 4.0668263 4.6723716 5.5972603 ] [ 37.7897364 -147.7220553 -384.629216 ] [ 7.7189072 -40.5939078 525.5821766 ] [ -50.3214693 187.8559656 -139.5015293 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.679598051322285e-10 -1.771879086942682e-08 4.025736196205215e-09 ] [ 2.063182773007911e-09 1.096982351274004e-08 -1.531898517799729e-08 ] [ 6.515774072396674e-09 7.485964602885193e-09 8.967799667075831e-09 ] [ 6.054583266509927e-08 -2.366768253281158e-07 -6.162439426289389e-07 ] [ 1.236705275585436e-08 -6.503861055991033e-08 8.420754825953815e-07 ] [ -8.062388230100832e-08 3.009784386418278e-07 -2.235060906517263e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 119.27007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.910917192895444e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.1700928 0.4217326 1.5551125 ] [ 0.2525801 2.9070135 0.6558581 ] [ 0.648103 2.439669 3.1956916 ] [ 2.697938 0.4305895 1.1630779 ] [ 3.0620372 1.6514606 3.3508846 ] [ 2.4673943 2.3538525 -0.4671083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.700928e-11 4.217326e-11 1.5551125e-10 ] [ 2.525801e-11 2.9070135e-10 6.558581e-11 ] [ 6.48103e-11 2.439669e-10 3.1956916e-10 ] [ 2.697938e-10 4.305895000000001e-11 1.1630779e-10 ] [ 3.0620372e-10 1.6514606e-10 3.3508846e-10 ] [ 2.4673943e-10 2.3538525e-10 -4.671083e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.75e-05 1.5e-05 1.04e-05 ] [ -4.02e-05 6.1e-06 -9.4e-06 ] [ -1.72e-05 2.25e-05 4.2e-06 ] [ 1.25e-05 -2.79e-05 -2.37e-05 ] [ 3.9e-06 -1.38e-05 -1.1e-06 ] [ 1.34e-05 -1.9e-06 1.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.4059857435e-14 2.403264951e-14 1.66626369936e-14 ] [ -6.44075006868e-14 9.773277467399999e-15 -1.50604603596e-14 ] [ -2.75574381048e-14 3.6048974265e-14 6.729141862799999e-15 ] [ 2.0027207925e-14 -4.470072808859999e-14 -3.79715862258e-14 ] [ 6.248488872599999e-15 -2.21100375492e-14 -1.7623942974e-15 ] [ 2.14691668956e-14 -3.0441356046e-15 3.1242444363e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.216936 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.239110247027342e-18 } }