{ "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" [ [ 0.0705219 -0.2490274 0.7692257 ] [ -0.2347212 1.576309 0.2146841 ] [ 1.0083268 -0.87297 0.4326791 ] [ 0.9603214 -0.5850106 -1.3592458 ] [ -0.6544441 -0.3489091 -1.1732578 ] [ 0.4588569 -0.0391544 0.2990343 ] [ -1.6088617 0.5187625 0.8168803 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.129885394343955e-10 -3.989858782186099e-10 1.232435432658514e-09 ] [ -3.760648190461209e-10 2.525525426956627e-09 3.439618458774892e-10 ] [ 1.615517625086078e-09 -1.398652124659776e-09 6.932283383287853e-10 ] [ 1.538604495533925e-09 -9.372903062401805e-10 -2.177751842680593e-09 ] [ -1.048535036640497e-09 -5.590140028043693e-10 -1.879766217331243e-09 ] [ 7.351697974727636e-10 -6.273226428145151e-11 4.791057642772934e-10 ] [ -2.577680601840543e-09 8.311491492477601e-10 1.30878651865209e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.600336085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.217708078652678e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.581512 0.8634083 1.4827237 ] [ 2.1248373 2.5678818 3.0380026 ] [ 2.6072176 0.1603985 3.7272258 ] [ 2.2596022 1.8809569 5.2623618 ] [ 4.6423045 0.3198292 2.5586042 ] [ 4.1907173 2.5736302 1.9133777 ] [ 4.3261521 1.9872376 4.187245 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.581512e-10 8.634083000000001e-11 1.4827237e-10 ] [ 2.1248373e-10 2.5678818e-10 3.0380026e-10 ] [ 2.6072176e-10 1.603985e-11 3.7272258e-10 ] [ 2.2596022e-10 1.8809569e-10 5.2623618e-10 ] [ 4.6423045e-10 3.198292e-11 2.5586042e-10 ] [ 4.1907173e-10 2.5736302e-10 1.9133777e-10 ] [ 4.3261521e-10 1.9872376e-10 4.187245e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3e-06 -0.0 -3.5e-06 ] [ 5.8e-06 -7.1e-06 2.7e-06 ] [ 1.8e-06 7.9e-06 -5e-07 ] [ -4.8e-06 2.3e-06 7.8e-06 ] [ 2.4e-06 3e-06 -2.6e-06 ] [ 1e-06 -2.5e-06 -3.6e-06 ] [ -5e-06 -3.5e-06 -3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.08282960704e-15 0.0 -5.6076181728e-15 ] [ 9.292624400640001e-15 -1.137545400768e-14 4.32587687616e-15 ] [ 2.88391791744e-15 1.265719530432e-14 -8.010883104e-16 ] [ -7.69044777984e-15 3.68500622784e-15 1.249697764224e-14 ] [ 3.84522388992e-15 4.8065298624e-15 -4.16565921408e-15 ] [ 1.6021766208e-15 -4.005441552e-15 -5.76783583488e-15 ] [ -8.010883104e-15 -5.6076181728e-15 -4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }