{ "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" [ [ 0.9192407 0.3679632 0.2084149 ] [ 0.7009294 0.9640354 2.373703 ] [ 0.5234459 2.737555 0.0024849 ] [ 2.754814 0.6958427 0.7664459 ] [ 2.641472 1.152124 2.712512 ] [ 2.849889 2.552424 1.475764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.192407e-11 3.679632e-11 2.084149e-11 ] [ 7.009294e-11 9.640354e-11 2.373703e-10 ] [ 5.234459e-11 2.737555e-10 2.4849e-13 ] [ 2.754814e-10 6.958427e-11 7.664459e-11 ] [ 2.641472e-10 1.152124e-10 2.712512e-10 ] [ 2.849889e-10 2.552424e-10 1.475764e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -48.1311543 -3.4770729 -12.255651 ] [ -32.8455089 -1.8518282 -12.2360788 ] [ 4.2324721 -6.0582567 3.8809089 ] [ 45.2958691 -28.9629267 -25.1765254 ] [ 24.2865192 -59.7426726 96.6519627 ] [ 7.1618028 100.092757 -50.8646164 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.711461015157738e-08 -5.570884909197256e-09 -1.963571750488414e-08 ] [ -5.262430645785833e-08 -2.966955847778147e-09 -1.960435938362652e-08 ] [ 6.78116784680828e-09 -9.70639724754496e-09 6.217901507034645e-09 ] [ 7.257198249083713e-08 -4.64037240286841e-08 -4.033724038885736e-08 ] [ 3.891129326285032e-08 -9.571831330382874e-08 1.548535149923737e-07 ] [ 1.147447300893998e-08 1.603662751768156e-07 -8.149409922204025e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.7574655 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.242882986076258e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5509508 0.1786915 0.1638925 ] [ 0.8716604 1.2976511 2.0408056 ] [ 1.0298874 2.3443248 0.0941165 ] [ 2.5860869 0.8742058 0.6660885 ] [ 2.8980346 0.9581054 2.8508936 ] [ 2.4531709 2.8169657 1.7235281 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.509508e-11 1.786915e-11 1.638925e-11 ] [ 8.716604000000001e-11 1.2976511e-10 2.0408056e-10 ] [ 1.0298874e-10 2.3443248e-10 9.41165e-12 ] [ 2.5860869e-10 8.742058e-11 6.660885e-11 ] [ 2.8980346e-10 9.581054e-11 2.8508936e-10 ] [ 2.4531709e-10 2.8169657e-10 1.7235281e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.84e-05 2.7e-06 1.24e-05 ] [ 4.6e-05 -1.29e-05 -7.1e-05 ] [ 1.52e-05 -2.31e-05 3.84e-05 ] [ 7.6e-06 6.86e-05 4.17e-05 ] [ -1.75e-05 2.47e-05 -4.6e-06 ] [ -2.9e-06 -6e-05 -1.68e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.754534844671999e-14 4.32587687616e-15 1.986699009792e-14 ] [ 7.37001245568e-14 -2.066807840832e-14 -1.137545400768e-13 ] [ 2.435308463616e-14 -3.701027994048e-14 6.152358223872e-14 ] [ 1.217654231808e-14 1.0990931618688e-13 6.681076508736e-14 ] [ -2.8038090864e-14 3.957376253376001e-14 -7.370012455680001e-15 ] [ -4.646312200320001e-15 -9.6130597248e-14 -2.691656722944e-14 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }