{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.4941141 -2.258711 1.655656 ] [ 5.3244166 -17.0206369 -8.5423853 ] [ 3.8482073 -2.3438912 6.2618358 ] [ -1.3587763 -2.8763007 1.8581383 ] [ 11.8078811 5.6723521 0.0146172 ] [ -3.832061 4.2492153 -12.6163477 ] [ -6.2955535 14.5779723 11.3684856 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.521124764622763e-08 -3.618853957343789e-09 2.652653335287245e-09 ] [ 8.530655795919425e-09 -2.727006651230579e-08 -1.368641001352559e-08 ] [ 6.165507768051892e-09 -3.755327682338857e-09 1.003256692204846e-08 ] [ -2.176999620757127e-09 -4.608341735930674e-09 2.977065742473057e-09 ] [ 1.891831103960619e-08 9.088109919565785e-09 2.341933610155776e-11 ] [ -6.139638543679469e-09 6.807993410405658e-09 -2.021361732482385e-08 ] [ -1.008658863269561e-08 2.335648639773001e-08 1.821432184222146e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 3.2369311 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.186135331560428e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1907464 2.8971414 2.7318093 ] [ 4.2823032 0.6467918 1.1935846 ] [ 5.5620122 2.1375618 4.0969132 ] [ 3.5535178 0.9725166 3.4904504 ] [ 5.36829 4.0410594 2.6483444 ] [ 3.9917656 3.0350714 0.8511165 ] [ 3.3233009 4.8081601 3.7171494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1907464e-10 2.8971414e-10 2.7318093e-10 ] [ 4.282303200000001e-10 6.467918000000001e-11 1.1935846e-10 ] [ 5.5620122e-10 2.1375618e-10 4.0969132e-10 ] [ 3.5535178e-10 9.725166e-11 3.4904504e-10 ] [ 5.36829e-10 4.0410594e-10 2.6483444e-10 ] [ 3.9917656e-10 3.0350714e-10 8.511165000000001e-11 ] [ 3.3233009e-10 4.8081601e-10 3.7171494e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.06e-05 -1.4e-06 1.18e-05 ] [ -1.32e-05 1.31e-05 3.42e-05 ] [ -2.7e-06 -1.26e-05 -4.32e-05 ] [ 1.3e-06 2.34e-05 -4.41e-05 ] [ -2.36e-05 5.3e-06 1.58e-05 ] [ 1.93e-05 -2.92e-05 4.02e-05 ] [ -1.17e-05 1.4e-06 -1.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.902660459647999e-14 -2.24304726912e-15 1.890568412544e-14 ] [ -2.114873139456e-14 2.098851373248e-14 5.479444043136e-14 ] [ -4.32587687616e-15 -2.018742542208e-14 -6.921403001856e-14 ] [ 2.08282960704e-15 3.749093292672001e-14 -7.065598897728e-14 ] [ -3.781136825088e-14 8.491536090240001e-15 2.531439060864e-14 ] [ 3.092200878144e-14 -4.678355732736e-14 6.440750015616e-14 ] [ -1.874546646336e-14 2.24304726912e-15 -2.355199632576e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }