{ "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" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3797315 7.8858643 2.5334794 ] [ -0.1266484 -21.8591842 -8.3365279 ] [ -5.4472369 -6.7755917 3.4965598 ] [ 7.7326841 21.5747048 -3.1054788 ] [ -7.7955229 1.4604535 -2.9379075 ] [ 4.5316352 -1.7826988 2.1722564 ] [ -0.2746425 -0.5035479 6.1776185 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.210573552281316e-09 1.263454741626136e-08 4.059081463958412e-09 ] [ -2.029131055417267e-10 -3.502227387500076e-08 -1.335659010002692e-08 ] [ -8.727435609139068e-09 -1.085569461382653e-08 5.602106364789124e-09 ] [ 1.238912568105189e-08 3.456648763122154e-08 -4.975525529750039e-09 ] [ -1.248980453729102e-08 2.339904453465533e-09 -4.707046710572977e-09 ] [ 7.260479971434333e-09 -2.856198339288215e-09 3.480338418463174e-09 ] [ -4.40025792578064e-10 -8.067726728329363e-10 9.897635932921565e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.933601 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.11632689401555e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2420529 1.0598888 1.9315684 ] [ 2.0534609 2.5025853 3.1075227 ] [ 1.5579072 4.3105306 1.9416045 ] [ 3.2225376 4.3524799 3.4093314 ] [ 4.2538553 2.4007621 3.3811341 ] [ 3.423669 5.4222624 1.4878487 ] [ 3.4261081 3.2160555 1.5018957 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2420529e-10 1.0598888e-10 1.9315684e-10 ] [ 2.0534609e-10 2.5025853e-10 3.1075227e-10 ] [ 1.5579072e-10 4.3105306e-10 1.9416045e-10 ] [ 3.2225376e-10 4.3524799e-10 3.4093314e-10 ] [ 4.2538553e-10 2.4007621e-10 3.3811341e-10 ] [ 3.423669e-10 5.4222624e-10 1.4878487e-10 ] [ 3.4261081e-10 3.2160555e-10 1.5018957e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.57e-05 -0.0001154 0.0001102 ] [ 0.0001053 -5.6e-05 -5.72e-05 ] [ -4.89e-05 4.93e-05 5.81e-05 ] [ -7.69e-05 1.58e-05 0.0001009 ] [ -9.82e-05 -1.6e-05 -0.0001295 ] [ 7.19e-05 0.0002592 -9.45e-05 ] [ 3.1e-05 -0.0001369 1.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.515417294656e-14 -1.8489118204032e-13 1.7655986361216e-13 ] [ 1.6870919817024e-13 -8.97218907648e-14 -9.164450270976e-14 ] [ -7.834643675712001e-14 7.898730740544e-14 9.308646166848001e-14 ] [ -1.2320738213952e-13 2.531439060864e-14 1.6165962103872e-13 ] [ -1.5733374416256e-13 -2.56348259328e-14 -2.074818723936e-13 ] [ 1.1519649903552e-13 4.152841801113601e-13 -1.514056906656e-13 ] [ 4.96674752448e-14 -2.1933797938752e-13 1.92261194496e-14 ] ] } "relaxed-potential-energy" { "source-value" -49.241665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.889384443226563e-18 } }