{ "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" [ [ 0.3288529 1.174724 0.8712814 ] [ 1.395659 1.176494 2.521247 ] [ 2.395391 0.4245255 0.3168768 ] [ 2.017962 2.536207 0.5333854 ] [ 2.744316 1.992854 1.84914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.288529e-11 1.174724e-10 8.712814e-11 ] [ 1.395659e-10 1.176494e-10 2.521247e-10 ] [ 2.395391e-10 4.245255e-11 3.168768e-11 ] [ 2.017962e-10 2.536207e-10 5.333854e-11 ] [ 2.744316e-10 1.992854e-10 1.84914e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9168888 -0.7650977 -5.56471 ] [ -11.1755813 -9.1715318 13.7436459 ] [ 0.8454554 -3.2587553 -1.5715549 ] [ -13.5778602 13.8965548 -26.695143 ] [ 29.8248749 -0.7011699 20.0877619 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.479900903233367e-09 -1.225821647567852e-09 -8.915648263531968e-09 ] [ -1.790525508270967e-08 -1.469441382688374e-08 2.201974814553377e-08 ] [ 1.354568875809112e-09 -5.22110155456809e-09 -2.517908519083682e-09 ] [ -2.175413017293081e-08 2.226473521022602e-08 -4.277033400351278e-08 ] [ 4.778471728306475e-08 -1.123398020988674e-09 3.218414248037699e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.41753937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.689718168775609e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.1232851 1.3034957 0.732076 ] [ 1.3348153 0.7284477 2.7225798 ] [ 2.3411009 0.4180858 0.5734057 ] [ 1.9357185 2.7149239 0.0366889 ] [ 3.1472611 2.1398515 2.0271802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232851e-11 1.3034957e-10 7.32076e-11 ] [ 1.3348153e-10 7.284477e-11 2.7225798e-10 ] [ 2.3411009e-10 4.180858e-11 5.734057000000001e-11 ] [ 1.9357185e-10 2.7149239e-10 3.66889e-12 ] [ 3.147261100000001e-10 2.1398515e-10 2.0271802e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 1.5e-05 1e-07 ] [ 1.42e-05 -1.07e-05 -1.06e-05 ] [ -6.5e-06 2.9e-06 1.09e-05 ] [ -7e-07 -1.26e-05 -3.9e-06 ] [ -1.15e-05 5.4e-06 3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.2097947936e-15 2.4032649312e-14 1.6021766208e-16 ] [ 2.275090801536e-14 -1.714328984256e-14 -1.698307218048e-14 ] [ -1.04141480352e-14 4.646312200320001e-15 1.746372516672e-14 ] [ -1.12152363456e-15 -2.018742542208e-14 -6.24848882112e-15 ] [ -1.84250311392e-14 8.65175375232e-15 5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }