{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0022719 -2.0431251 -1.4780646 ] [ -6.0191182 3.0467417 -3.0213336 ] [ -2.315608 -2.0066053 2.6645599 ] [ -1.5258999 0.8637268 1.9351475 ] [ 4.8009981 -2.7477427 -1.1067404 ] [ 3.3491371 0.9124493 -2.4702284 ] [ 1.708219 1.9745552 3.4766596 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.639985094784599e-12 -3.273447295558913e-09 -2.368120565662556e-09 ] [ -9.643690537324139e-09 4.881418361573437e-09 -4.840710097439102e-09 ] [ -3.710013031103471e-09 -3.21493612532056e-09 4.269095611673376e-09 ] [ -2.444761165602936e-09 1.383842897119591e-09 3.100448107843515e-09 ] [ 7.692046975698395e-09 -4.402369150184071e-09 -1.773193608783814e-09 ] [ 5.365909205682521e-09 1.461904948169656e-09 -3.957742223123205e-09 ] [ 2.736868567554846e-09 3.163586203983197e-09 5.570222775491786e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.89593406491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.546809413441368e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9998192 2.185974 1.2620587 ] [ 2.085174 4.7247518 1.6002618 ] [ 2.0488069 2.9217625 3.5206432 ] [ 4.1171813 3.3227344 0.7445793 ] [ 4.4868271 2.9819531 3.1121686 ] [ 4.4556768 5.6731458 1.3802037 ] [ 3.7080837 5.2774575 3.6004488 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9998192e-10 2.185974e-10 1.2620587e-10 ] [ 2.085174e-10 4.7247518e-10 1.6002618e-10 ] [ 2.0488069e-10 2.9217625e-10 3.5206432e-10 ] [ 4.1171813e-10 3.3227344e-10 7.445793000000001e-11 ] [ 4.4868271e-10 2.9819531e-10 3.1121686e-10 ] [ 4.4556768e-10 5.6731458e-10 1.3802037e-10 ] [ 3.7080837e-10 5.2774575e-10 3.6004488e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.96e-05 -2.99e-05 -6.11e-05 ] [ -0.0001022 0.0001401 -7.42e-05 ] [ 7.6e-06 -7.59e-05 3.04e-05 ] [ 2.49e-05 -8.47e-05 7.33e-05 ] [ 0.0001009 -3.19e-05 -6.84e-05 ] [ 1.7e-06 -5.29e-05 -2.8e-06 ] [ -3.2e-06 0.0001353 0.0001027 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.74244283664e-14 -4.790508135659999e-14 -9.789299233739998e-14 ] [ -1.637424519948e-13 2.244649464234e-13 -1.188815062428e-13 ] [ 1.21765424184e-14 -1.216052065206e-13 4.870616967359999e-14 ] [ 3.989419818659999e-14 -1.357043608998e-13 1.174395472722e-13 ] [ 1.616596223706e-13 -5.11094346246e-14 -1.095888817656e-13 ] [ 2.7237002778e-15 -8.475514393859999e-14 -4.486094575199999e-15 ] [ -5.1269652288e-15 2.167744985802e-13 1.645435403118e-13 ] ] } "relaxed-potential-energy" { "source-value" -18.180097064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.912772672126102e-18 } }