{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7826629 0.079664 0.3147899 ] [ 0.4004832 1.295186 0.8087518 ] [ 0.7320587 0.6290848 2.788823 ] [ 1.344916 2.662801 0.2560168 ] [ 0.3963272 2.667865 2.000738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.826629000000001e-11 7.9664e-12 3.147899e-11 ] [ 4.004832e-11 1.295186e-10 8.087518e-11 ] [ 7.320586999999999e-11 6.290848000000001e-11 2.788823e-10 ] [ 1.344916e-10 2.662801e-10 2.560168e-11 ] [ 3.963272e-11 2.667865e-10 2.000738e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 22.6297786 -80.4832693 -36.306637 ] [ -37.3795002 36.269234 19.6477615 ] [ 0.2928165 -4.5826354 11.4545277 ] [ 20.422962 25.8495442 -19.9234338 ] [ -5.9660569 22.9471265 25.1277816 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.625690220680016e-08 -1.289484124380104e-07 -5.816964498127225e-08 ] [ -5.988856131762892e-08 5.810971876912446e-08 3.147918412635434e-08 ] [ 4.691437504844831e-10 -7.342191299530457e-09 1.8352176483246e-08 ] [ 3.272119224388681e-08 4.141553537557624e-08 -3.192085984041651e-08 ] [ -9.558676883542523e-09 3.676534959284013e-08 4.025914421208842e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 31.231401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.003822051702975e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4939735 -0.4598863 0.8668938 ] [ 0.3590893 1.2539998 -0.6948242 ] [ 0.9568088 0.4890053 2.9356959 ] [ 0.7385935 3.2621374 0.4087802 ] [ 1.1079829 2.7893446 2.6525738 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.939735e-11 -4.598863e-11 8.668938e-11 ] [ 3.590893e-11 1.2539998e-10 -6.948242e-11 ] [ 9.568088e-11 4.890053e-11 2.9356959e-10 ] [ 7.385935e-11 3.2621374e-10 4.087802e-11 ] [ 1.1079829e-10 2.7893446e-10 2.6525738e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.47e-05 -4.16e-05 -2.22e-05 ] [ 1.29e-05 3.22e-05 -1.46e-05 ] [ 7.7e-06 1.19e-05 4.42e-05 ] [ -1.03e-05 -1.58e-05 2.58e-05 ] [ 4.4e-06 1.33e-05 -3.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.355199632576e-14 -6.665054742528e-14 -3.556832098176e-14 ] [ 2.066807840832e-14 5.159008718975999e-14 -2.339177866368e-14 ] [ 1.233675998016e-14 1.906590178752e-14 7.081620663936001e-14 ] [ -1.650241919424e-14 -2.531439060864e-14 4.133615681664e-14 ] [ 7.04957713152e-15 2.130894905664e-14 -5.303204614848e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.437183 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992656383121121e-18 } }