{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.253943 -4.9123777 -11.5913151 ] [ -7.1719382 3.0091265 -2.2473899 ] [ -3.6716191 -5.7049816 9.4341978 ] [ -3.3789412 9.0420292 -2.8924268 ] [ 3.7042387 -2.6184639 1.4672203 ] [ 7.0700144 1.4562937 -2.0766654 ] [ 2.1943023 -0.2716262 7.9063791 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.009038158415814e-09 -7.870496703479277e-09 -1.857133405754601e-08 ] [ -1.149071170986244e-08 4.821152127329731e-09 -3.60071555560205e-09 ] [ -5.882582282502738e-09 -9.140388141614179e-09 1.511525115116279e-08 ] [ -5.413660593697897e-09 1.448692778883093e-08 -4.634178596335358e-09 ] [ 5.934844643002586e-09 -4.19524164298879e-09 2.350746062223162e-09 ] [ 1.132741178039934e-08 2.333239719158329e-09 -3.327184753104281e-09 ] [ 3.515659844027668e-09 -4.351931472367449e-10 1.266741574920174e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.209131 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.116336086928453e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8522262 1.6443841 0.7515868 ] [ 0.9277119 2.6626993 1.8315505 ] [ 1.6234058 1.6064974 3.9069989 ] [ 2.3406776 4.5553771 2.4045583 ] [ 3.8476219 0.9855914 2.9485196 ] [ 4.4142455 3.3150345 1.7617111 ] [ 3.4436109 3.2850852 4.2542289 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8522262e-10 1.6443841e-10 7.515868e-11 ] [ 9.277119000000001e-11 2.6626993e-10 1.8315505e-10 ] [ 1.6234058e-10 1.6064974e-10 3.9069989e-10 ] [ 2.3406776e-10 4.5553771e-10 2.4045583e-10 ] [ 3.8476219e-10 9.855914e-11 2.9485196e-10 ] [ 4.4142455e-10 3.3150345e-10 1.7617111e-10 ] [ 3.4436109e-10 3.2850852e-10 4.2542289e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.32e-05 3.1e-06 2.71e-05 ] [ 1.94e-05 8.9e-06 1.12e-05 ] [ 1.29e-05 1.3e-06 -2.03e-05 ] [ 1.38e-05 -2.02e-05 -6.2e-06 ] [ 2.9e-06 1.62e-05 -8.1e-06 ] [ -1.41e-05 -4.1e-06 4.3e-06 ] [ -2.18e-05 -5.3e-06 -8.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.114873139456e-14 4.96674752448e-15 4.341898642368e-14 ] [ 3.108222644352e-14 1.425937192512e-14 1.794437815296e-14 ] [ 2.066807840832e-14 2.08282960704e-15 -3.252418540224e-14 ] [ 2.211003736704e-14 -3.236396774016e-14 -9.93349504896e-15 ] [ 4.646312200320001e-15 2.595526125696e-14 -1.297763062848e-14 ] [ -2.259069035328e-14 -6.568924145279999e-15 6.889359469440001e-15 ] [ -3.492745033344e-14 -8.491536090240001e-15 -1.297763062848e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }