{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1462425 -1.3854981 -1.8673244 ] [ 0.7530724 -2.7517521 -1.0048172 ] [ -6.4372518 3.7146439 3.1734448 ] [ 9.5296344 -16.5361176 -7.8199876 ] [ 0.3337871 -4.187462 10.0779713 ] [ -1.6482518 21.5387811 2.2380364 ] [ -2.3847478 -0.3925954 -4.7973232 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.34306314467344e-10 -2.21981266398282e-09 -2.991783497129388e-09 ] [ 1.206554993049746e-09 -4.408792880857304e-09 -1.609894626017718e-09 ] [ -1.031361433616272e-08 5.951515611177334e-09 5.084419065959331e-09 ] [ 1.526815744045144e-08 -2.649378101751941e-08 -1.25290013076659e-08 ] [ 5.347858879446317e-10 -6.70905371688841e-09 1.614669000195338e-08 ] [ -2.640790499151517e-09 3.450893151894891e-08 3.585729596579397e-09 ] [ -3.820787171664234e-09 -6.290071713136243e-10 -7.686159073461443e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.7716858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.405378991376335e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9707046 1.3969035 0.1715059 ] [ 2.7003675 0.8418918 2.3820041 ] [ 2.3214544 3.0765017 3.4442049 ] [ 4.900227 2.0349516 2.3313277 ] [ 4.553745 2.9269277 4.7252543 ] [ 4.4084717 4.6371663 2.7879702 ] [ 3.1026596 3.4185643 0.9026926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9707046e-10 1.3969035e-10 1.715059e-11 ] [ 2.7003675e-10 8.418918e-11 2.3820041e-10 ] [ 2.3214544e-10 3.0765017e-10 3.4442049e-10 ] [ 4.900227000000001e-10 2.0349516e-10 2.3313277e-10 ] [ 4.553745e-10 2.9269277e-10 4.725254299999999e-10 ] [ 4.4084717e-10 4.6371663e-10 2.7879702e-10 ] [ 3.1026596e-10 3.4185643e-10 9.026926e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.64e-05 -5.01e-05 3.26e-05 ] [ -5.27e-05 -0.000204 -5e-05 ] [ 1.66e-05 -7.99e-05 1.87e-05 ] [ -4.34e-05 -8.99e-05 4.69e-05 ] [ 5.43e-05 5.04e-05 0.0001231 ] [ -3.56e-05 0.0001083 -0.0001073 ] [ 0.0001271 0.0002652 -6.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.0638452762112e-13 -8.026904870208e-14 5.223095783807999e-14 ] [ -8.443470791616e-14 -3.268440306432e-13 -8.010883104e-14 ] [ 2.659613190528e-14 -1.2801391200192e-13 2.996070280896e-14 ] [ -6.953446534272e-14 -1.4403567820992e-13 7.514208351552e-14 ] [ 8.699819050944e-14 8.074970168832e-14 1.9722794202048e-13 ] [ -5.703748770048e-14 1.7351572803264e-13 -1.7191355141184e-13 ] [ 2.0363664850368e-13 4.2489723983616e-13 -1.025393037312e-13 ] ] } "relaxed-potential-energy" { "source-value" -16.696818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.675125144135262e-18 } }