{ "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" [ [ 2.019678 3.528357 2.55152 ] [ 4.681874 1.030316 1.978031 ] [ 3.876194 2.698932 0.9098523 ] [ 3.736168 1.84025 3.911189 ] [ 5.498325 3.105138 2.775129 ] [ 3.884183 4.867643 2.227305 ] [ 3.327521 4.019973 4.190113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.019678e-10 3.528357e-10 2.55152e-10 ] [ 4.681874e-10 1.030316e-10 1.978031e-10 ] [ 3.876194e-10 2.698932e-10 9.098523e-11 ] [ 3.736168e-10 1.84025e-10 3.911189e-10 ] [ 5.498325e-10 3.105138e-10 2.775129000000001e-10 ] [ 3.884183e-10 4.867643e-10 2.227305e-10 ] [ 3.327521e-10 4.019973e-10 4.190113e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7576049 -3.0523696 -2.642921 ] [ 1.7612272 -3.3982126 0.4960865 ] [ -2.2982548 3.6982889 1.4248481 ] [ -1.3329158 -0.3387611 -1.413149 ] [ -1.8190587 1.2399262 0.7515149 ] [ 1.7170545 0.3522794 -2.7023858 ] [ 2.7295524 1.4988488 4.0860063 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.213816858583522e-09 -4.890435211160648e-09 -4.234426236821356e-09 ] [ 2.821797043757046e-09 -5.444536780227983e-09 7.948181921944993e-10 ] [ -3.68221010920138e-09 5.92531201254415e-09 2.282858314011301e-09 ] [ -2.135566532254929e-09 -5.427551144564908e-10 -2.264114289506899e-09 ] [ -2.914453321002841e-09 1.986580769157385e-09 1.20405960296285e-09 ] [ 2.751024576539433e-09 5.644138186694516e-10 -4.329699349141905e-09 ] [ 4.373225040528531e-09 2.401420505474135e-09 6.546503766301511e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.367627 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.224559552537484e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9699815 3.5667149 2.6248209 ] [ 5.0893084 0.9412528 2.0350586 ] [ 3.6570628 2.660942 1.1558672 ] [ 3.3762855 1.8041491 3.4851009 ] [ 5.3811344 3.1696244 2.8899572 ] [ 3.9110062 4.8887202 2.0486259 ] [ 3.6391641 4.0592056 4.3037085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9699815e-10 3.5667149e-10 2.6248209e-10 ] [ 5.0893084e-10 9.412528e-11 2.0350586e-10 ] [ 3.6570628e-10 2.660942e-10 1.1558672e-10 ] [ 3.3762855e-10 1.8041491e-10 3.4851009e-10 ] [ 5.381134399999999e-10 3.1696244e-10 2.8899572e-10 ] [ 3.9110062e-10 4.8887202e-10 2.0486259e-10 ] [ 3.6391641e-10 4.0592056e-10 4.3037085e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.32e-05 -7.2e-06 7e-07 ] [ -4e-07 -1.59e-05 -6e-07 ] [ 1.8e-06 8.7e-06 2.45e-05 ] [ -1.5e-06 -2.5e-06 -1.77e-05 ] [ -2.4e-06 1.17e-05 1.05e-05 ] [ 1.4e-06 6.9e-06 -8.4e-06 ] [ 1.44e-05 -1.6e-06 -9.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.114873139456e-14 -1.153567166976e-14 1.12152363456e-15 ] [ -6.408706483200001e-16 -2.547460827072e-14 -9.6130597248e-16 ] [ 2.88391791744e-15 1.393893660096e-14 3.92533272096e-14 ] [ -2.4032649312e-15 -4.005441552e-15 -2.835852618816e-14 ] [ -3.84522388992e-15 1.874546646336e-14 1.68228545184e-14 ] [ 2.24304726912e-15 1.105501868352e-14 -1.345828361472e-14 ] [ 2.307134333952e-14 -2.56348259328e-15 -1.457980724928e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.696935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757973496641725e-18 } }