{ "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" [ [ 2.668149 2.195644 2.177876 ] [ 2.423331 4.799117 4.063095 ] [ 0.9419081 3.216694 3.792355 ] [ 4.815194 2.852634 0.7483411 ] [ 3.230766 2.566095 4.274755 ] [ 3.707939 4.705402 1.628358 ] [ 5.171828 3.316404 3.099703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.668149e-10 2.195644e-10 2.177876e-10 ] [ 2.423331e-10 4.799117e-10 4.063095e-10 ] [ 9.419081e-11 3.216694e-10 3.792355e-10 ] [ 4.815194e-10 2.852634e-10 7.483411e-11 ] [ 3.230766e-10 2.566095e-10 4.274755e-10 ] [ 3.707939e-10 4.705402000000001e-10 1.628358e-10 ] [ 5.171828e-10 3.316404e-10 3.099703e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.6993703 6.0387133 -8.0230421 ] [ 4.4556245 10.3364735 -5.220067 ] [ -13.9109016 -0.4719236 -0.638395 ] [ -1.2691492 -4.8259335 -4.1083298 ] [ 10.2729347 -8.3167888 6.0690597 ] [ -10.4430122 -0.9616776 6.0381777 ] [ 3.1951336 -1.7988633 5.8825964 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.233575108954188e-08 9.675085268974017e-09 -1.285433048031414e-08 ] [ 7.13869740496369e-09 1.656085618321875e-08 -8.363469306409593e-09 ] [ -2.228772131776931e-08 -7.561049587237709e-10 -1.022821543835616e-09 ] [ -2.033401176547023e-09 -7.731997827235516e-09 -6.58226995609594e-09 ] [ 1.645905580334506e-08 -1.332496457549129e-08 9.723705561579463e-09 ] [ -1.673154999756917e-08 -1.540777367467054e-09 9.674227143175917e-09 ] [ 5.11916835425254e-09 -2.882096723275137e-09 9.424958421682245e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.676287 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.152488701555097e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8345257 2.3536002 2.1435341 ] [ 2.448673 4.9949858 3.9755382 ] [ 0.9111297 3.0036291 3.6250692 ] [ 4.753506 2.8351866 0.5316939 ] [ 3.261182 2.6825261 4.6114213 ] [ 3.6312655 4.7237995 1.8578779 ] [ 5.1188331 3.0582627 3.0393485 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8345257e-10 2.3536002e-10 2.1435341e-10 ] [ 2.448673e-10 4.994985800000001e-10 3.9755382e-10 ] [ 9.111297e-11 3.0036291e-10 3.6250692e-10 ] [ 4.753506e-10 2.8351866e-10 5.316939000000001e-11 ] [ 3.261182e-10 2.6825261e-10 4.6114213e-10 ] [ 3.6312655e-10 4.723799500000001e-10 1.8578779e-10 ] [ 5.1188331e-10 3.0582627e-10 3.0393485e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.1e-06 2.16e-05 -6.41e-05 ] [ 2.56e-05 5.13e-05 2.09e-05 ] [ -7.36e-05 -5.78e-05 -6.69e-05 ] [ -2.84e-05 -1.58e-05 1.36e-05 ] [ 6.32e-05 9e-07 0.0001321 ] [ 3.67e-05 -2.05e-05 1.41e-05 ] [ -3.17e-05 2.03e-05 -4.97e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.297763062848e-14 3.460701500928e-14 -1.0269952139328e-13 ] [ 4.101572149248001e-14 8.219166064704e-14 3.348549137472e-14 ] [ -1.1792019929088e-13 -9.260580868224001e-14 -1.0718561593152e-13 ] [ -4.550181603071999e-14 -2.531439060864e-14 2.178960204288e-14 ] [ 1.0125756243456e-13 1.44195895872e-15 2.1164753160768e-13 ] [ 5.879988198335999e-14 -3.28446207264e-14 2.259069035328e-14 ] [ -5.078899887936e-14 3.252418540224e-14 -7.962817805376001e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.710506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.119277162213813e-18 } }