{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1841375 -4.1207852 -0.1691727 ] [ -1.7383553 2.1521713 0.144186 ] [ -1.7768385 1.9689482 -0.0524579 ] [ 1.4653588 -3.4800056 0.3890995 ] [ -0.2884427 0.1623665 -0.3040941 ] [ 5.1053328 4.7120691 -0.6051862 ] [ 0.4170824 -1.3947644 0.5976253 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.101550701943174e-09 -6.602225761173017e-09 -2.710445470506918e-10 ] [ -2.78515224325006e-09 3.448158569225404e-09 2.31011440149924e-10 ] [ -2.846809127091609e-09 3.154602799596359e-09 -8.404682164870859e-11 ] [ 2.347763629786279e-09 -5.575583658509149e-09 6.23406127201083e-10 ] [ -4.621361541878718e-10 2.60139812444361e-10 -4.872124615572593e-10 ] [ 8.179644920953796e-09 7.549567009813408e-09 -9.696151888592508e-10 ] [ 6.682396757326416e-10 -2.234658931615029e-09 9.575012915472401e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.705961005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.676590037195269e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8311448 1.8514431 3.1336279 ] [ 3.2550267 3.9705275 0.8617418 ] [ 2.138301 4.2112128 2.9567654 ] [ 3.4386313 1.7285995 1.4560978 ] [ 5.2336196 2.0673878 2.8970863 ] [ 4.6105909 4.3681195 2.7848878 ] [ 3.5759727 2.8283629 4.4356763 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8311448e-10 1.8514431e-10 3.1336279e-10 ] [ 3.2550267e-10 3.9705275e-10 8.617418000000001e-11 ] [ 2.138301e-10 4.211212800000001e-10 2.9567654e-10 ] [ 3.4386313e-10 1.7285995e-10 1.4560978e-10 ] [ 5.2336196e-10 2.0673878e-10 2.8970863e-10 ] [ 4.6105909e-10 4.3681195e-10 2.7848878e-10 ] [ 3.5759727e-10 2.8283629e-10 4.4356763e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.6e-06 8.8e-06 0.0 ] [ 3e-07 3.1e-06 -5.3e-06 ] [ -7.6e-06 1e-07 -2.7e-06 ] [ -2.3e-06 -9.2e-06 -1.22e-05 ] [ 3.8e-06 -4.8e-06 9.2e-06 ] [ -8.7e-06 2.4e-06 7.5e-06 ] [ 1.81e-05 -4e-07 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.767835882399999e-15 1.40991543792e-14 0.0 ] [ 4.806529901999999e-16 4.9667475654e-15 -8.4915361602e-15 ] [ -1.21765424184e-14 1.602176634e-16 -4.3258769118e-15 ] [ -3.685006258199999e-15 -1.47400250328e-14 -1.95465549348e-14 ] [ 6.088271209199999e-15 -7.690447843199998e-15 1.47400250328e-14 ] [ -1.39389367158e-14 3.845223921599999e-15 1.2016324755e-14 ] [ 2.899939707539999e-14 -6.408706536e-16 5.607618218999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.557919005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.293741747470206e-18 } }