{ "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" [ [ 0.1724043 0.1217148 2.355607 ] [ 0.0803944 1.628444 0.6781111 ] [ 0.0194903 2.198586 2.964695 ] [ 2.614645 0.684385 2.185781 ] [ 2.191382 2.601245 1.67848 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.724043e-11 1.217148e-11 2.355607e-10 ] [ 8.03944e-12 1.628444e-10 6.781111e-11 ] [ 1.94903e-12 2.198586e-10 2.964695e-10 ] [ 2.614645e-10 6.84385e-11 2.185781e-10 ] [ 2.191382e-10 2.601245e-10 1.67848e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8269022 -2.3751822 0.0356268 ] [ 0.4677961 0.7584367 -0.5749874 ] [ 0.3786837 2.0467271 0.4337332 ] [ 0.2186902 -4.3145753 1.1579551 ] [ -1.8920721 3.8845937 -1.0523277 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.324843372528086e-09 -3.80546139098031e-09 5.708042603391744e-11 ] [ 7.49491974721419e-10 1.215149549096703e-09 -9.21231369534578e-10 ] [ 6.06718170818041e-10 3.279218308777784e-09 6.949171927047706e-10 ] [ 3.503803256380761e-10 -6.912711674341146e-09 1.855248589156126e-09 ] [ -3.03143368348796e-09 6.223805207446969e-09 -1.686014838360236e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6518067754089 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.453016060039177e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0385024 -0.052953 2.3614013 ] [ 0.4222703 1.4897588 0.6468261 ] [ 0.3802195 2.1469663 3.0759579 ] [ 2.2444996 0.7039009 2.1948185 ] [ 1.9928243 2.9467018 1.5836703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.85024e-12 -5.2953e-12 2.3614013e-10 ] [ 4.222703e-11 1.4897588e-10 6.468261e-11 ] [ 3.802195e-11 2.1469663e-10 3.0759579e-10 ] [ 2.2444996e-10 7.039009e-11 2.1948185e-10 ] [ 1.9928243e-10 2.9467018e-10 1.5836703e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.1e-06 2.09e-05 -3.3e-06 ] [ -9e-06 -6.5e-06 -8.9e-06 ] [ -1.27e-05 -9.8e-06 1.33e-05 ] [ 7.2e-06 -8.3e-06 4.3e-06 ] [ 6.4e-06 3.7e-06 -5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.297763062848e-14 3.348549137472e-14 -5.28718284864e-15 ] [ -1.44195895872e-14 -1.04141480352e-14 -1.425937192512e-14 ] [ -2.034764308416e-14 -1.570133088384e-14 2.130894905664e-14 ] [ 1.153567166976e-14 -1.329806595264e-14 6.889359469440001e-15 ] [ 1.025393037312e-14 5.928053496960001e-15 -8.65175375232e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.7659997754089005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.238150035698192e-19 } }