{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1230618 1.9835841 8.0538435 ] [ 2.1208629 1.9664026 9.4663522 ] [ -0.8844789 1.9384687 -11.2140333 ] [ -2.7894932 1.3987553 -9.5015828 ] [ -2.5546988 -4.1221037 3.2512547 ] [ -4.7347347 -7.1065829 3.7088134 ] [ 5.7194809 3.9414759 -3.7646477 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.003696601273566e-09 3.178052070410609e-09 1.290367976328204e-08 ] [ 3.397996954302089e-09 3.150524272800334e-09 1.516676817909865e-08 ] [ -1.417091415170901e-09 3.105769231292569e-09 -1.796686197813267e-08 ] [ -4.469260788920578e-09 2.24105303988009e-09 -1.52232138227554e-08 ] [ -4.093078690545815e-09 -6.604338176653177e-09 5.209084268606118e-09 ] [ -7.5858812420305e-09 -1.138600097615707e-08 5.942174120389759e-09 ] [ 9.163618581092143e-09 6.314940538426639e-09 -6.031630530488492e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.986608 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.726996172429425e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0539689 3.0749578 1.4829296 ] [ 2.8031025 3.2833241 4.995133 ] [ 1.1504384 3.2039335 3.5101702 ] [ 2.9927395 2.0351679 3.186558 ] [ 4.2650476 3.0746483 1.7149884 ] [ 3.0074981 4.3009485 3.0489895 ] [ 4.728037 3.2034259 3.8856482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0539689e-10 3.0749578e-10 1.4829296e-10 ] [ 2.8031025e-10 3.2833241e-10 4.995133e-10 ] [ 1.1504384e-10 3.203933500000001e-10 3.5101702e-10 ] [ 2.9927395e-10 2.0351679e-10 3.186558e-10 ] [ 4.2650476e-10 3.0746483e-10 1.7149884e-10 ] [ 3.0074981e-10 4.3009485e-10 3.0489895e-10 ] [ 4.728037e-10 3.2034259e-10 3.8856482e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001321 7.19e-05 1.2e-06 ] [ -2.19e-05 7.07e-05 -1.96e-05 ] [ -1.2e-06 -6.39e-05 8e-05 ] [ 8.7e-06 2e-06 5.8e-06 ] [ -5.8e-05 -2.1e-05 -0.000101 ] [ -1.8e-06 -4.08e-05 3.1e-06 ] [ -5.8e-05 -1.89e-05 3.06e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.1164753160768e-13 1.1519649903552e-13 1.92261194496e-15 ] [ -3.508766799552e-14 1.1327388709056e-13 -3.140266176767999e-14 ] [ -1.92261194496e-15 -1.0237908606912e-13 1.28174129664e-13 ] [ 1.393893660096e-14 3.2043532416e-15 9.292624400640001e-15 ] [ -9.29262440064e-14 -3.36457090368e-14 -1.618198387008e-13 ] [ -2.88391791744e-15 -6.536880612864e-14 4.96674752448e-15 ] [ -9.29262440064e-14 -3.028113813312e-14 4.902660459647999e-14 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }