{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3863311 0.0566 1.6319139 ] [ -0.4828359 1.099385 1.077847 ] [ 1.2522971 0.285569 0.472434 ] [ 1.6384326 -1.2256602 -2.186296 ] [ -0.1949229 -0.9393348 -2.1380782 ] [ 0.5778647 -0.197784 0.0022108 ] [ -3.1771668 0.9212251 1.1399686 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.189706563079469e-10 9.068319673728e-11 2.614614297738549e-09 ] [ -7.735883906629267e-10 1.761408944258208e-09 1.726901264199418e-09 ] [ 2.00640113591564e-09 4.575319754252352e-10 7.569227096710273e-10 ] [ 2.625058406476558e-09 -1.963724117485053e-09 -3.502832337348557e-09 ] [ -3.123009132385363e-10 -1.504980255663844e-09 -3.425578905482146e-09 ] [ 9.258413123256058e-10 -3.168849007683072e-10 3.54209207326464e-12 ] [ -5.09038236734195e-09 1.475965317714142e-09 1.826431039366107e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.642081 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.268531930765989e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6811042 0.8411017 1.4011677 ] [ 1.7834041 2.3943907 2.8805792 ] [ 2.6201479 0.2509765 3.7534974 ] [ 2.3972749 2.2111727 5.1125353 ] [ 4.6734118 0.3308297 2.4638771 ] [ 4.0511209 2.6328739 2.2144625 ] [ 4.5258791 1.6919973 4.3434219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6811042e-10 8.411017e-11 1.4011677e-10 ] [ 1.7834041e-10 2.3943907e-10 2.8805792e-10 ] [ 2.6201479e-10 2.509765e-11 3.7534974e-10 ] [ 2.3972749e-10 2.2111727e-10 5.112535300000001e-10 ] [ 4.6734118e-10 3.308297e-11 2.4638771e-10 ] [ 4.0511209e-10 2.6328739e-10 2.2144625e-10 ] [ 4.5258791e-10 1.6919973e-10 4.3434219e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.33e-05 -2.58e-05 4.6e-06 ] [ 4.51e-05 8.7e-06 2.2e-05 ] [ -1e-06 2.13e-05 -1.36e-05 ] [ 1e-07 -2.28e-05 -5.7e-06 ] [ 2.89e-05 -5.4e-06 5.3e-06 ] [ 2.9e-06 1.24e-05 -4.3e-06 ] [ -4.29e-05 1.16e-05 -8.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.335248147264001e-14 -4.133615681664e-14 7.370012455680001e-15 ] [ 7.225816559807999e-14 1.393893660096e-14 3.52478856576e-14 ] [ -1.6021766208e-15 3.412636202304e-14 -2.178960204288e-14 ] [ 1.6021766208e-16 -3.652962695424e-14 -9.13240673856e-15 ] [ 4.630290434112001e-14 -8.65175375232e-15 8.491536090240001e-15 ] [ 4.646312200320001e-15 1.986699009792e-14 -6.889359469440001e-15 ] [ -6.873337703232e-14 1.858524880128e-14 -1.313784829056e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497168915979e-18 } }