{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1274237 -6.1584385 -1.5471798 ] [ -6.9300226 2.5565302 4.4934198 ] [ -3.3270496 -3.2822203 2.4186348 ] [ 2.3245234 2.8244151 -7.1180431 ] [ 2.4130004 2.6479003 5.2800818 ] [ 2.4200516 -2.7959621 -5.1501745 ] [ 1.9720732 4.2077753 1.6232609 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.806331908757826e-09 -9.866906266626008e-09 -2.478855324156793e-09 ] [ -1.110312028281193e-08 4.096012950555347e-09 7.199252210312952e-09 ] [ -5.330521129279047e-09 -5.258696672300469e-09 3.875080162739263e-09 ] [ 3.724297076666235e-09 4.525211877936773e-09 -1.140436233462492e-08 ] [ 3.866052858712653e-09 4.242403989821589e-09 8.45962368556866e-09 ] [ 3.877350126594314e-09 -4.479625146169571e-09 -8.251489244922633e-09 ] [ 3.159609601577608e-09 6.74159926678234e-09 2.60075068486581e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.797178 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.171857601073885e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.143153 1.243954 1.9894403 ] [ 1.7504761 3.3462604 3.4033016 ] [ 2.5973734 1.1316715 4.3786266 ] [ 2.9933889 3.3695245 1.1610778 ] [ 3.7283274 3.1878463 5.0268611 ] [ 4.4236399 2.055303 2.8344251 ] [ 3.9730593 4.5709234 3.0383134 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.143153e-10 1.243954e-10 1.9894403e-10 ] [ 1.7504761e-10 3.3462604e-10 3.4033016e-10 ] [ 2.5973734e-10 1.1316715e-10 4.3786266e-10 ] [ 2.9933889e-10 3.3695245e-10 1.1610778e-10 ] [ 3.7283274e-10 3.1878463e-10 5.0268611e-10 ] [ 4.423639900000001e-10 2.055303e-10 2.8344251e-10 ] [ 3.9730593e-10 4.5709234e-10 3.0383134e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.1e-06 -2.39e-05 -2.67e-05 ] [ 9.02e-05 7.5e-06 -2.32e-05 ] [ -2.15e-05 -5.07e-05 1.95e-05 ] [ -5.04e-05 8.7e-06 2.92e-05 ] [ -3.52e-05 2.88e-05 2.77e-05 ] [ -4.8e-06 5.27e-05 -5.1e-06 ] [ 2.77e-05 -2.31e-05 -2.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.773277467399999e-15 -3.82920215526e-14 -4.277811612779999e-14 ] [ 1.445163323868e-13 1.2016324755e-14 -3.71704979088e-14 ] [ -3.4446797631e-14 -8.123035534379999e-14 3.1242444363e-14 ] [ -8.074970235359998e-14 1.39389367158e-14 4.67835577128e-14 ] [ -5.63966175168e-14 4.614268705919999e-14 4.438029276179999e-14 ] [ -7.690447843199998e-15 8.44347086118e-14 -8.1711008334e-15 ] [ 4.438029276179999e-14 -3.70102802454e-14 -3.41263623042e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }