{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1263174 0.4385011 2.440297 ] [ 1.443642 1.70162 0.7822092 ] [ 0.8295505 2.763862 2.693363 ] [ 2.917075 0.1010564 1.432133 ] [ 1.93191 1.054076 2.887848 ] [ 2.783401 2.698255 1.169851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263174e-11 4.385011e-11 2.440297e-10 ] [ 1.443642e-10 1.70162e-10 7.822092e-11 ] [ 8.295505e-11 2.763862e-10 2.693363e-10 ] [ 2.917075e-10 1.010564e-11 1.432133e-10 ] [ 1.93191e-10 1.054076e-10 2.887848e-10 ] [ 2.783401e-10 2.698255e-10 1.169851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.0550631 -10.4321311 3.777177 ] [ -12.0463293 -1.5550966 -25.5677708 ] [ -9.0726439 16.0756262 9.0475567 ] [ 12.5571446 -13.6053317 -5.1212183 ] [ 7.6419107 -9.6281613 23.7866218 ] [ 17.9749811 19.1450945 -5.9223664 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.732522336508878e-08 -1.671411655354059e-08 6.051704682023482e-09 ] [ -1.930034717091803e-08 -2.491539415605569e-09 -4.096408462173292e-08 ] [ -1.453597794542373e-08 2.575599246235994e-08 1.44957838201024e-08 ] [ 2.011876350212497e-08 -2.179814436796912e-08 -8.20509623027312e-09 ] [ 1.224369066178136e-08 -1.542601493615133e-08 3.811036933577161e-08 ] [ 2.879909447774187e-08 3.067382281090666e-08 -9.488676985891461e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 19.897837 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.187984924588921e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1728554 0.4963162 1.9047448 ] [ 1.4972596 1.0767485 0.1770339 ] [ 1.9918771 3.0859825 3.2578865 ] [ 3.17208 0.0359336 1.6679561 ] [ 1.6858572 0.7287008 3.5179257 ] [ 1.8576773 3.3336888 0.8801543 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.728554e-11 4.963162e-11 1.9047448e-10 ] [ 1.4972596e-10 1.0767485e-10 1.770339e-11 ] [ 1.9918771e-10 3.0859825e-10 3.2578865e-10 ] [ 3.17208e-10 3.59336e-12 1.6679561e-10 ] [ 1.6858572e-10 7.287008000000001e-11 3.5179257e-10 ] [ 1.8576773e-10 3.3336888e-10 8.801543e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.9e-06 -1.48e-05 -5.1e-06 ] [ 4.6e-06 2.1e-05 -2.1e-06 ] [ 1.29e-05 6.9e-06 8.1e-06 ] [ 1.1e-06 -1.11e-05 3.3e-06 ] [ -2.2e-06 5e-06 5.9e-06 ] [ -9.6e-06 -7e-06 -1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.105501868352e-14 -2.371221398784e-14 -8.17110076608e-15 ] [ 7.370012455680001e-15 3.36457090368e-14 -3.36457090368e-15 ] [ 2.066807840832e-14 1.105501868352e-14 1.297763062848e-14 ] [ 1.76239428288e-15 -1.778416049088e-14 5.28718284864e-15 ] [ -3.52478856576e-15 8.010883104e-15 9.45284206272e-15 ] [ -1.538089555968e-14 -1.12152363456e-14 -1.618198387008e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.9625962 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.435966209331092e-18 } }