{ "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" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.6731554 -10.8037426 0.843573 ] [ -16.9451929 7.4099395 -2.3080914 ] [ 4.8964576 6.0119536 1.3052763 ] [ 0.7892731 8.660393 1.2878455 ] [ -8.4624285 2.1433496 -2.1314185 ] [ 0.4509031 -7.1889061 -1.7957868 ] [ 11.5978321 -6.2329869 2.7986019 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.229375018964527e-08 -1.730950381086101e-08 1.351552938538118e-09 ] [ -2.714919189932615e-08 1.187203182844244e-08 -3.697970079749541e-09 ] [ 7.844989891458479e-09 9.632211503254396e-09 2.091283171544327e-09 ] [ 1.264554908246341e-09 1.387547919153997e-08 2.063355951302486e-09 ] [ -1.355830509789161e-08 3.434024619321032e-09 -3.414908889840605e-09 ] [ 7.224264050662445e-10 -1.151789728254651e-08 -2.877167626901246e-09 ] [ 1.858177544258377e-08 -9.98634588893267e-09 4.48385453510646e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.5231222 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.849017262661462e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.2838073 2.7409096 4.6500666 ] [ 4.5583899 2.8459895 0.4824552 ] [ 3.7485248 0.9770154 1.3411287 ] [ 2.796186 1.0429633 3.3372961 ] [ 4.9152833 4.1048654 4.0614858 ] [ 5.6926344 3.9568462 2.0138682 ] [ 3.4245793 3.994031 -1.0200135 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2838073e-10 2.7409096e-10 4.6500666e-10 ] [ 4.5583899e-10 2.8459895e-10 4.824552e-11 ] [ 3.7485248e-10 9.770154e-11 1.3411287e-10 ] [ 2.796186e-10 1.0429633e-10 3.3372961e-10 ] [ 4.9152833e-10 4.1048654e-10 4.0614858e-10 ] [ 5.692634400000001e-10 3.9568462e-10 2.0138682e-10 ] [ 3.4245793e-10 3.994031e-10 -1.0200135e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.3021934 0.433376 0.4283664 ] [ -0.296843 -0.1363929 -0.4713702 ] [ -0.5583535 0.0503703 0.8693951 ] [ 0.3216088 -0.4947322 -1.1248896 ] [ -0.3542315 -0.0432714 0.7283793 ] [ 0.4663332 0.2618656 -0.2267706 ] [ 0.1192927 -0.0712154 -0.2031104 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.841672004400627e-10 6.943448952158208e-10 6.863186312162611e-10 ] [ -4.755949146481344e-10 -2.185255156231124e-10 -7.552183141818202e-10 ] [ -8.945809238418528e-10 8.070211704268224e-11 1.392924503458078e-09 ] [ 5.15274100403543e-10 -7.926483643969498e-10 -1.802271818101064e-09 ] [ -5.675414276509152e-10 -6.932842542928512e-11 1.166992285534669e-09 ] [ 7.471481505428505e-10 4.195549421117645e-10 -3.633265536047884e-10 ] [ 1.911279749721082e-10 -1.140996489209203e-10 -3.254187343213363e-10 ] ] } "relaxed-potential-energy" { "source-value" -16.785664 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.689359842540421e-18 } }