{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.4052082 -9.5411507 -0.8402857 ] [ 1.1839913 -2.010616 0.5156791 ] [ 2.0938091 -6.0652786 1.0855481 ] [ 6.3741361 2.3648095 -4.5011285 ] [ -0.4067461 2.449968 -9.544055 ] [ 3.4941076 2.3402857 4.6317629 ] [ -5.3340899 10.4619822 8.6524792 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.18644515479452e-08 -1.528660871301274e-08 -1.346286114424334e-09 ] [ 1.896963195719284e-09 -3.221361975146544e-09 8.262090046621492e-10 ] [ 3.354652016076569e-09 -9.717647651620232e-09 1.739239800903095e-09 ] [ 1.021249192135589e-08 3.788842524761223e-09 -7.211602909331469e-09 ] [ -6.516790973906273e-10 3.925281483647712e-09 -1.529126191461087e-08 ] [ 5.598177553401818e-09 3.749551065424333e-09 7.420902292608078e-09 ] [ -8.546154201435397e-09 1.676194342616391e-08 1.386280000041101e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.057361 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.451149215990287e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3629094 2.1645779 2.6377781 ] [ 5.7373127 1.7544615 1.5086968 ] [ 4.4315229 1.3760238 3.6208225 ] [ 5.5890987 4.2366814 2.1543567 ] [ 3.4426296 3.7295365 1.1035189 ] [ 4.8527026 3.7042048 4.3996849 ] [ 2.4807331 4.3829691 3.9281251 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3629094e-10 2.1645779e-10 2.6377781e-10 ] [ 5.7373127e-10 1.7544615e-10 1.5086968e-10 ] [ 4.4315229e-10 1.3760238e-10 3.6208225e-10 ] [ 5.5890987e-10 4.2366814e-10 2.1543567e-10 ] [ 3.4426296e-10 3.7295365e-10 1.1035189e-10 ] [ 4.8527026e-10 3.7042048e-10 4.3996849e-10 ] [ 2.4807331e-10 4.382969100000001e-10 3.9281251e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.05e-05 -3.72e-05 -2.38e-05 ] [ 3.7e-05 2.58e-05 4.28e-05 ] [ -3.88e-05 8.6e-06 -3.29e-05 ] [ 1.9e-06 -3.79e-05 -2.77e-05 ] [ -3.79e-05 6.5e-06 5e-07 ] [ 2.57e-05 4e-06 1.36e-05 ] [ 1.6e-06 3.03e-05 2.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6822854657e-14 -5.96009707848e-14 -3.81318038892e-14 ] [ 5.9280535458e-14 4.133615715719999e-14 6.857315993519999e-14 ] [ -6.21644533992e-14 1.37787190524e-14 -5.271161125859999e-14 ] [ 3.0441356046e-15 -6.072249442859999e-14 -4.438029276179999e-14 ] [ -6.072249442859999e-14 1.0414148121e-14 8.010883169999999e-16 ] [ 4.11759394938e-14 6.408706535999999e-15 2.17896022224e-14 ] [ 2.5634826144e-15 4.854595201019999e-14 4.4059857435e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }