{ "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" [ [ -23.8178501 -7.2202637 -12.4634076 ] [ -25.8311842 -2.1937336 5.1925623 ] [ -1.4985249 1.6992762 -1.1786055 ] [ 27.6013258 -22.250675 -24.521404 ] [ 15.3368327 -15.5705851 45.049374 ] [ 8.2094008 45.5359813 -12.0785191 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.816040290233457e-08 -1.156813779145838e-08 -1.996858043673802e-08 ] [ -4.138611975378998e-08 -3.514748715140702e-09 8.319401987649296e-09 ] [ -2.400901580247187e-09 2.72254062235231e-09 -1.888334192803887e-09 ] [ 4.422219926418136e-08 -3.564951157572795e-08 -3.928762052167413e-08 ] [ 2.457231499150713e-08 -2.494682762492855e-08 7.217705439912711e-08 ] [ 1.31529101409009e-08 7.295668524512094e-08 -1.935192107534271e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.797191 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.890118376703509e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8234885 0.2518126 0.0255509 ] [ 0.2243605 1.0109977 2.3758989 ] [ 0.5383451 2.7269221 0.5275296 ] [ 3.2292868 0.4152978 0.5860142 ] [ 2.6301593 1.1745017 2.9363547 ] [ 2.9441507 2.8904124 1.0879764 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.234885e-11 2.518126e-11 2.55509e-12 ] [ 2.243605e-11 1.0109977e-10 2.3758989e-10 ] [ 5.383451e-11 2.7269221e-10 5.275296000000001e-11 ] [ 3.2292868e-10 4.152978e-11 5.860142e-11 ] [ 2.6301593e-10 1.1745017e-10 2.9363547e-10 ] [ 2.9441507e-10 2.8904124e-10 1.0879764e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.19e-05 1.43e-05 1.88e-05 ] [ -2.16e-05 1.68e-05 -1.62e-05 ] [ 7.1e-06 -1.67e-05 -8.4e-06 ] [ 3.27e-05 2.22e-05 -5.4e-06 ] [ 2.36e-05 -1.71e-05 1.32e-05 ] [ -1.99e-05 -1.95e-05 -2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.50876682846e-14 2.29111258662e-14 3.012092071919999e-14 ] [ -3.46070152944e-14 2.691656745119999e-14 -2.59552614708e-14 ] [ 1.13754541014e-14 -2.67563497878e-14 -1.34582837256e-14 ] [ 5.23911759318e-14 3.55683212748e-14 -8.6517538236e-15 ] [ 3.78113685624e-14 -2.73972204414e-14 2.11487315688e-14 ] [ -3.18833150166e-14 -3.1242444363e-14 -3.204353268e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.599118 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.659471900460881e-18 } }