{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.0828466 -28.4606337 29.395032 ] [ -15.1034832 20.1887362 -4.2094663 ] [ -39.2852907 15.5455973 -30.4085756 ] [ 1.2732146 29.1484853 8.0940215 ] [ 26.774022 -24.3138294 -10.253456 ] [ 21.1518184 -5.9761558 2.9167796 ] [ 13.2725656 -6.1322 4.4656648 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.295014785203277e-08 -4.55989619272926e-08 4.709603303806787e-08 ] [ -2.419844767568557e-08 3.234592114313864e-08 -6.744308491905479e-09 ] [ -6.294197430087167e-08 2.49067925504316e-08 -4.871990889814933e-08 ] [ 2.039914665381224e-09 4.670102167939247e-08 1.296805201555255e-08 ] [ 4.289671209318485e-08 -3.895504902679969e-08 -1.642784748560148e-08 ] [ 3.388894892788726e-08 -9.57485710501832e-09 4.673196083146376e-09 ] [ 2.126499430235433e-08 -9.824867474069762e-09 7.154783738889508e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.452154 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.133137051001204e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.2792139 2.9211531 3.8889265 ] [ 2.8792263 5.665988 0.9055883 ] [ 0.9422903 3.8536833 1.459168 ] [ 2.1418957 5.4408415 3.4259298 ] [ 3.317659 2.9041907 0.8246952 ] [ 5.2207752 4.6778104 1.5594284 ] [ 3.8533386 3.366866 3.4188168 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2792139e-10 2.9211531e-10 3.888926500000001e-10 ] [ 2.8792263e-10 5.665988e-10 9.055883e-11 ] [ 9.422903e-11 3.8536833e-10 1.459168e-10 ] [ 2.1418957e-10 5.4408415e-10 3.4259298e-10 ] [ 3.317659e-10 2.9041907e-10 8.246952e-11 ] [ 5.2207752e-10 4.6778104e-10 1.5594284e-10 ] [ 3.8533386e-10 3.366866e-10 3.4188168e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.8e-06 4e-06 3.6e-06 ] [ -6.6e-06 -9e-06 7.8e-06 ] [ 1.05e-05 -3.3e-06 1.1e-06 ] [ 6.7e-06 5e-06 -7.7e-06 ] [ 5.9e-06 1.15e-05 4e-06 ] [ -1.24e-05 -3.6e-06 6.8e-06 ] [ 3.7e-06 -4.6e-06 -1.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.249697764224e-14 6.4087064832e-15 5.76783583488e-15 ] [ -1.057436569728e-14 -1.44195895872e-14 1.249697764224e-14 ] [ 1.68228545184e-14 -5.28718284864e-15 1.76239428288e-15 ] [ 1.073458335936e-14 8.010883104e-15 -1.233675998016e-14 ] [ 9.45284206272e-15 1.84250311392e-14 6.4087064832e-15 ] [ -1.986699009792e-14 -5.76783583488e-15 1.089480102144e-14 ] [ 5.928053496960001e-15 -7.370012455680001e-15 -2.499395528448e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.718424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.960328103582162e-18 } }