{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.371302 1.822431 2.77878 ] [ 1.953583 1.464236 4.887458 ] [ 2.036561 3.993513 4.302634 ] [ 4.621904 2.219697 2.273588 ] [ 4.551448 2.283743 4.505208 ] [ 4.054448 4.223119 3.103646 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.371302e-10 1.822431e-10 2.77878e-10 ] [ 1.953583e-10 1.464236e-10 4.887458e-10 ] [ 2.036561e-10 3.993513e-10 4.302634e-10 ] [ 4.621904e-10 2.219697e-10 2.273588e-10 ] [ 4.551448e-10 2.283743e-10 4.505208e-10 ] [ 4.054448e-10 4.223119e-10 3.103646e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.6431899 0.8381657 3.8873548 ] [ 6.1693791 2.0286034 0.9829163 ] [ -1.1582742 -0.5244329 0.1364081 ] [ 5.5685908 -6.3910854 -11.693972 ] [ -10.3643274 -11.9014924 10.3181151 ] [ -2.8585581 15.9502416 -3.6308223 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.234857097004796e-09 1.342889499960254e-09 6.228229028627742e-09 ] [ 9.884435040307948e-09 3.250180967132955e-09 1.574805529037734e-09 ] [ -1.855759859005043e-09 -8.402341384808584e-10 2.185498705083354e-10 ] [ 8.921866064067366e-09 -1.023964769377854e-08 -1.873580869705025e-08 ] [ -1.660548318740597e-08 -1.906829303300858e-08 1.653144292014257e-08 ] [ -4.579914994751435e-09 2.555510439817477e-08 -5.817218651266138e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.201046 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.435476071355916e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4064617 1.6008826 2.7869882 ] [ 1.8767643 1.5121528 5.2854914 ] [ 2.1476731 3.748338 4.0784151 ] [ 4.624053 2.3698598 1.958689 ] [ 4.1684758 2.2636232 4.4951243 ] [ 4.3658181 4.5118826 3.246606 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4064617e-10 1.6008826e-10 2.7869882e-10 ] [ 1.8767643e-10 1.5121528e-10 5.2854914e-10 ] [ 2.1476731e-10 3.748338e-10 4.0784151e-10 ] [ 4.624053e-10 2.3698598e-10 1.958689e-10 ] [ 4.1684758e-10 2.2636232e-10 4.4951243e-10 ] [ 4.365818100000001e-10 4.5118826e-10 3.246606e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.62e-05 -3.43e-05 7.48e-05 ] [ 0.00017 6.96e-05 -0.000148 ] [ 0.0001009 -3.48e-05 -2.47e-05 ] [ 7e-06 1.2e-05 -0.0001048 ] [ -0.0001828 8.6e-06 0.0001537 ] [ -3.89e-05 -2.11e-05 4.9e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.004232683079999e-14 -5.49546585462e-14 1.198428122232e-13 ] [ 2.7237002778e-13 1.115114937264e-13 -2.37122141832e-13 ] [ 1.616596223706e-13 -5.575574686319999e-14 -3.95737628598e-14 ] [ 1.1215236438e-14 1.9226119608e-14 -1.679081112432e-13 ] [ -2.928778886952e-13 1.37787190524e-14 2.462545486458e-13 ] [ -6.232467106259999e-14 -3.38059269774e-14 7.850665506599998e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.556334 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.453705464949975e-18 } }