{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.0011521 6.5642282 4.4212579 ] [ 4.8219796 -6.1322223 -7.0698541 ] [ -0.9739215 -8.0181476 -5.0201977 ] [ 2.1826103 -0.8457151 1.7605573 ] [ -1.7616352 -4.4281521 4.3302793 ] [ 0.4705071 1.0474588 -2.8386854 ] [ 4.2616117 11.8125501 4.4166427 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.442143545488483e-08 1.051705295563607e-08 7.083636041907304e-09 ] [ 7.725662981094535e-09 -9.824903202608402e-09 -1.132715495148702e-08 ] [ -1.560394257794467e-09 -1.284648862684363e-08 -8.043243386733932e-09 ] [ 3.496927194977274e-09 -1.354984961077534e-09 2.820723745638772e-09 ] [ -2.822450731818332e-09 -7.094681767966424e-09 6.93787225599419e-09 ] [ 7.538354755404077e-10 1.678214000611223e-09 -4.548075381686296e-09 ] [ 6.827854632667742e-09 1.89257916022487e-08 7.076241676366988e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.25592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.803397186959514e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.77255 4.156912 3.5197654 ] [ 5.7602319 2.4134834 1.8994771 ] [ 3.5612399 1.3822022 1.6631925 ] [ 5.5001765 2.2338788 4.3832527 ] [ 3.133242 1.796737 4.0311002 ] [ 2.6512404 3.5790448 1.1626187 ] [ 5.1814253 4.4497799 3.2620029 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.77255e-10 4.156912e-10 3.5197654e-10 ] [ 5.7602319e-10 2.4134834e-10 1.8994771e-10 ] [ 3.5612399e-10 1.3822022e-10 1.6631925e-10 ] [ 5.5001765e-10 2.2338788e-10 4.3832527e-10 ] [ 3.133242e-10 1.796737e-10 4.0311002e-10 ] [ 2.6512404e-10 3.5790448e-10 1.1626187e-10 ] [ 5.1814253e-10 4.4497799e-10 3.2620029e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.62e-05 1.48e-05 -1.9e-06 ] [ 3.2e-06 -1.01e-05 3.41e-05 ] [ 4.6e-06 -8.9e-06 -1.07e-05 ] [ -4.5e-06 1.92e-05 2.59e-05 ] [ -9e-06 -0.0001018 2.34e-05 ] [ -1.79e-05 6.09e-05 -3e-06 ] [ 3.98e-05 2.59e-05 -6.78e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.595526125696e-14 2.371221398784e-14 -3.04413557952e-15 ] [ 5.126965186560001e-15 -1.618198387008e-14 5.463422276928e-14 ] [ 7.370012455680001e-15 -1.425937192512e-14 -1.714328984256e-14 ] [ -7.2097947936e-15 3.076179111936e-14 4.149637447872e-14 ] [ -1.44195895872e-14 -1.6310157999744e-13 3.749093292672001e-14 ] [ -2.867896151232001e-14 9.757255620672e-14 -4.8065298624e-15 ] [ 6.376662950784e-14 4.149637447872e-14 -1.0862757489024e-13 ] ] } "relaxed-potential-energy" { "source-value" -18.411662 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.949873440647177e-18 } }