{ "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" [ [ -5.4011388 -1.9063097 0.8100161 ] [ -0.5226807 1.1535317 -1.2302243 ] [ -0.6070378 0.7919743 3.8833897 ] [ 8.3416643 -9.0825513 -22.8892283 ] [ 0.5507031 -0.5369951 28.691938 ] [ -2.36151 9.58035 -9.2658913 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.653578382350799e-09 -3.05424485850755e-09 1.297788868583807e-09 ] [ -8.374268045827637e-10 1.848161536318298e-09 -1.971036628039006e-09 ] [ -9.72581779114765e-10 1.268882718188506e-09 6.221876238056269e-09 ] [ 1.336481963013196e-08 -1.455185146996632e-08 -3.667258675255154e-08 ] [ 8.823236390913652e-10 -8.603610017924933e-10 4.596955264777669e-08 ] [ -3.78355614295734e-09 1.53494129155419e-08 -1.484559453404388e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.760657 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.025236773888538e-19 } "relaxed-configuration-positions" { "source-value" [ [ -1.0992826 0.9756874 1.9974167 ] [ 0.3218411 2.5335577 0.6629302 ] [ 0.8390983 2.0741258 3.1214879 ] [ 3.9196222 1.2833459 0.9989789 ] [ 3.037306 1.3322981 3.137142 ] [ 2.2795602 2.0053028 -0.4644394 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.0992826e-10 9.756874e-11 1.9974167e-10 ] [ 3.218411e-11 2.5335577e-10 6.629302000000001e-11 ] [ 8.390983e-11 2.0741258e-10 3.1214879e-10 ] [ 3.9196222e-10 1.2833459e-10 9.989789000000001e-11 ] [ 3.037306e-10 1.3322981e-10 3.137142e-10 ] [ 2.2795602e-10 2.0053028e-10 -4.644394e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 7.8e-06 1.06e-05 ] [ 4.9e-06 -6.3e-06 -1.95e-05 ] [ -1.62e-05 2.8e-06 4.6e-06 ] [ 1.5e-05 8.1e-06 3.1e-06 ] [ 4.8e-06 -1.41e-05 -9.4e-06 ] [ -1.13e-05 1.8e-06 1.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.486094575199999e-15 1.24969777452e-14 1.69830723204e-14 ] [ 7.850665506599998e-15 -1.00937127942e-14 -3.1242444363e-14 ] [ -2.59552614708e-14 4.486094575199999e-15 7.370012516399999e-15 ] [ 2.403264951e-14 1.29776307354e-14 4.9667475654e-15 ] [ 7.690447843199998e-15 -2.25906905394e-14 -1.50604603596e-14 ] [ -1.81045959642e-14 2.8839179412e-15 1.6822854657e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.748985 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.363047914221649e-18 } }