{ "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" [ [ 2.114 2.095272 1.915779 ] [ 2.14246 0.9228837 3.956719 ] [ 3.791491 3.03012 0.940196 ] [ 4.524648 0.3016751 5.057567 ] [ 3.666195 2.4276 3.537085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.114e-10 2.095272e-10 1.915779e-10 ] [ 2.14246e-10 9.228837e-11 3.956719e-10 ] [ 3.791491000000001e-10 3.03012e-10 9.40196e-11 ] [ 4.524648e-10 3.016751e-11 5.057567e-10 ] [ 3.666195e-10 2.4276e-10 3.537085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8837478 -0.9516949 0.1250207 ] [ -0.7248368 -1.4220634 0.6420375 ] [ 1.3164499 0.419332 0.0112408 ] [ -0.7743525 0.5352581 -0.7864782 ] [ 2.0664871 1.4191682 0.0081791 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.018096684643434e-09 -1.524783318914594e-09 2.003052426560506e-10 ] [ -1.161316574855485e-09 -2.278396732775359e-09 1.02865747217688e-09 ] [ 2.109185252234498e-09 6.718439267533055e-10 1.800974695908864e-11 ] [ -1.240649471758032e-09 8.575780139138284e-10 -1.260076984808867e-09 ] [ 3.310877318804792e-09 2.273758111022819e-09 1.310436279918528e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -3.5477663992349484 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.684148380914034e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9565156 2.0657386 2.0144259 ] [ 2.1801315 0.7851744 3.9874984 ] [ 4.015724 2.7365409 1.2682205 ] [ 4.3892866 0.5974594 4.5632562 ] [ 3.6971363 2.5926374 3.5739451 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9565156e-10 2.0657386e-10 2.0144259e-10 ] [ 2.1801315e-10 7.851744000000001e-11 3.987498400000001e-10 ] [ 4.015724e-10 2.7365409e-10 1.2682205e-10 ] [ 4.3892866e-10 5.974594e-11 4.5632562e-10 ] [ 3.6971363e-10 2.5926374e-10 3.5739451e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.89e-05 6.71e-05 2.75e-05 ] [ -5.31e-05 -7.44e-05 -2.87e-05 ] [ -3.88e-05 -7.93e-05 2.41e-05 ] [ 4.09e-05 2.1e-06 -4.3e-06 ] [ -1.8e-05 8.45e-05 -1.86e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1038996917312e-13 1.0750605125568e-13 4.4059857072e-14 ] [ -8.507557856448001e-14 -1.1920194058752e-13 -4.598246901696e-14 ] [ -6.216445288704e-14 -1.2705260602944e-13 3.861245656128e-14 ] [ 6.552902379072e-14 3.36457090368e-15 -6.889359469440001e-15 ] [ -2.88391791744e-14 1.353839244576e-13 -2.980048514688e-14 ] ] } "relaxed-potential-energy" { "source-value" -4.883549399234948 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.824308673976119e-19 } }