{ "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" [ [ -2.4849787 -0.4970155 -4.7386607 ] [ -1.8846363 -2.1114527 0.8730544 ] [ 2.5220404 -1.2830524 2.2387699 ] [ -2.8157161 3.2352782 -0.812243 ] [ 3.4179077 0.6173727 -1.7316457 ] [ -0.8215435 -2.9110082 3.8920167 ] [ 2.0669265 2.9498779 0.2787085 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.981374809127695e-09 -7.963066208358269e-10 -7.592171449994083e-09 ] [ -3.019520243448214e-09 -3.382920179736212e-09 1.39878735989089e-09 ] [ 4.040754198884013e-09 -2.055676575477622e-09 3.586904822682516e-09 ] [ -4.511274543397607e-09 5.183487136529579e-09 -1.301356755730062e-09 ] [ 5.476091854108682e-09 9.891401144094916e-10 -2.774402278906574e-09 ] [ -1.316257799514579e-09 -4.663949319422398e-09 6.235698215877787e-09 ] [ 3.311581342495401e-09 4.726225444532988e-09 4.46540246397189e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.033334064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.568823320392528e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5340595 2.4511246 1.4570263 ] [ 1.0423087 2.2914133 3.4085679 ] [ 3.2148816 3.2064474 4.6801461 ] [ 1.4561053 4.6451533 3.522196 ] [ 4.9784142 2.5502414 2.0305504 ] [ 3.6469072 1.1027569 3.3899598 ] [ 3.6011364 4.421052 2.5169134 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5340595e-10 2.4511246e-10 1.4570263e-10 ] [ 1.0423087e-10 2.2914133e-10 3.4085679e-10 ] [ 3.2148816e-10 3.2064474e-10 4.6801461e-10 ] [ 1.4561053e-10 4.6451533e-10 3.522196e-10 ] [ 4.978414199999999e-10 2.5502414e-10 2.0305504e-10 ] [ 3.6469072e-10 1.1027569e-10 3.389959800000001e-10 ] [ 3.6011364e-10 4.421052000000001e-10 2.5169134e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.01e-05 -2.92e-05 2.6e-05 ] [ 3.46e-05 4.2e-06 2.63e-05 ] [ -1.83e-05 -2.89e-05 -6.88e-05 ] [ -1.46e-05 2.71e-05 3.9e-06 ] [ -3.79e-05 -1.38e-05 4.19e-05 ] [ 6.3e-06 2.41e-05 -3.86e-05 ] [ 9.8e-06 1.66e-05 9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.22037503434e-14 -4.67835577128e-14 4.165659248399999e-14 ] [ 5.54353115364e-14 6.729141862799999e-15 4.21372454742e-14 ] [ -2.93198324022e-14 -4.63029047226e-14 -1.102297524192e-13 ] [ -2.33917788564e-14 4.34189867814e-14 6.248488872599999e-15 ] [ -6.072249442859999e-14 -2.21100375492e-14 6.713120096459999e-14 ] [ 1.00937127942e-14 3.86124568794e-14 -6.18440180724e-14 ] [ 1.57013310132e-14 2.65961321244e-14 1.50604603596e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.14226006491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.906710516396036e-18 } }