{ "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" [ [ 0.0587563 2.624587 0.4359975 ] [ 0.6130103 1.606213 2.369845 ] [ 2.872214 1.39186 0.7464612 ] [ 1.941337 0.0175427 2.118778 ] [ 2.055015 2.698548 0.547582 ] [ 2.796139 2.772611 2.055467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.87563e-12 2.624587e-10 4.359975e-11 ] [ 6.130103e-11 1.606213e-10 2.369845e-10 ] [ 2.872214e-10 1.39186e-10 7.464612e-11 ] [ 1.941337e-10 1.75427e-12 2.118778e-10 ] [ 2.055015e-10 2.698548e-10 5.47582e-11 ] [ 2.796139e-10 2.772611e-10 2.055467e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.0003653 -0.1104211 -0.7693515 ] [ -5.2445586 1.5180767 3.7387154 ] [ 32.2255556 -57.1420478 -6.8870065 ] [ 0.9253355 -5.6072936 1.2664136 ] [ -34.6069308 46.7052765 -39.1682627 ] [ 14.7009636 14.6364094 41.8194917 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.281799824151958e-08 -1.769141048630189e-10 -1.232636986477411e-09 ] [ -8.40270917533558e-09 2.432226997321215e-09 5.99008240570492e-09 ] [ 5.163103177461052e-08 -9.155165304979607e-08 -1.103420080159764e-08 ] [ 1.482550904496278e-09 -8.983874711881466e-09 2.029018262183163e-09 ] [ -5.544641544540344e-08 7.483010207629964e-08 -6.275447477529269e-08 ] [ 2.35535401831518e-08 2.345011295313735e-08 6.700221189547965e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.5578412 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.371117309515902e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0878717 2.5858517 0.6355572 ] [ 0.6478629 1.7079017 2.6411565 ] [ 3.3113785 1.1092148 0.7928068 ] [ 1.7728103 -0.1704583 1.9057665 ] [ 2.0609148 2.9616987 -0.0607606 ] [ 2.6313768 2.9171532 2.3596043 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.787170000000001e-12 2.5858517e-10 6.355572000000001e-11 ] [ 6.478629000000001e-11 1.7079017e-10 2.6411565e-10 ] [ 3.3113785e-10 1.1092148e-10 7.928068e-11 ] [ 1.7728103e-10 -1.704583e-11 1.9057665e-10 ] [ 2.0609148e-10 2.9616987e-10 -6.07606e-12 ] [ 2.6313768e-10 2.9171532e-10 2.3596043e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.52e-05 8.15e-05 -2.65e-05 ] [ -2.65e-05 -7.05e-05 4.41e-05 ] [ -2.14e-05 -5.01e-05 7.82e-05 ] [ 7.61e-05 5.22e-05 -4.16e-05 ] [ -1.57e-05 -1.88e-05 -5.99e-05 ] [ 3.28e-05 5.7e-06 5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.241838326016e-14 1.305773945952e-13 -4.24576804512e-14 ] [ -4.24576804512e-14 -1.129534517664e-13 7.065598897728e-14 ] [ -3.428657968511999e-14 -8.026904870208e-14 1.2529021174656e-13 ] [ 1.2192564084288e-13 8.363361960576001e-14 -6.665054742528e-14 ] [ -2.515417294656e-14 -3.012092047104e-14 -9.597037958592001e-14 ] [ 5.255139316223999e-14 9.13240673856e-15 9.13240673856e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.373205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.943711950016567e-18 } }