{ "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" [ [ 1.175063 2.090387 1.108777 ] [ 2.290473 2.943113 3.7458 ] [ 1.562387 4.346014 1.227002 ] [ 3.205072 1.346551 2.036178 ] [ 4.414518 1.768723 4.119804 ] [ 3.44377 3.554925 2.238453 ] [ 4.008705 3.851776 5.027783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.175063e-10 2.090387e-10 1.108777e-10 ] [ 2.290473e-10 2.943113e-10 3.7458e-10 ] [ 1.562387e-10 4.346014000000001e-10 1.227002e-10 ] [ 3.205072e-10 1.346551e-10 2.036178e-10 ] [ 4.414518e-10 1.768723e-10 4.119804e-10 ] [ 3.44377e-10 3.554925e-10 2.238453e-10 ] [ 4.008705e-10 3.851776e-10 5.027783000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.5229349 -9.720325 -12.750877 ] [ -20.8619221 5.7629866 25.7656397 ] [ -4.8048404 7.9060673 -7.8770437 ] [ 3.8343782 -19.4288927 -13.6797082 ] [ 18.2505662 -18.3809927 14.5227075 ] [ 13.7413923 25.1955462 -20.273307 ] [ 5.3633607 8.6656102 14.2925888 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.487048338298039e-08 -1.557367746157776e-08 -2.042915702409644e-08 ] [ -3.342448385357084e-08 9.23332239650368e-09 4.128110554729633e-08 ] [ -7.69820295555532e-09 1.266691619053138e-08 -1.262041525715993e-08 ] [ 6.143351107345187e-09 -3.112851765197178e-08 -2.191730865740605e-08 ] [ 2.92406304820027e-08 -2.944959677103547e-08 2.326794242721681e-08 ] [ 2.201613748030114e-08 4.036771506992628e-08 -3.248141850170099e-08 ] [ 8.593051122457523e-09 1.388383806740601e-08 2.289925162606793e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 13.22681 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.119168574976365e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4673493 1.6246326 1.2730442 ] [ 1.4457584 4.034169 4.3010626 ] [ 1.4328823 3.9661233 1.8823381 ] [ 3.8476095 1.4468914 1.6702485 ] [ 4.1186418 1.24562 4.0662959 ] [ 3.9596446 3.9603424 1.9049576 ] [ 3.8281022 3.6237103 4.4058502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4673493e-10 1.6246326e-10 1.2730442e-10 ] [ 1.4457584e-10 4.034169e-10 4.3010626e-10 ] [ 1.4328823e-10 3.9661233e-10 1.8823381e-10 ] [ 3.8476095e-10 1.4468914e-10 1.6702485e-10 ] [ 4.1186418e-10 1.24562e-10 4.0662959e-10 ] [ 3.9596446e-10 3.9603424e-10 1.9049576e-10 ] [ 3.8281022e-10 3.6237103e-10 4.4058502e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.04e-05 -1.91e-05 -4.42e-05 ] [ -6.6e-06 -1.8e-06 -4.1e-06 ] [ -2.7e-05 1.77e-05 3.14e-05 ] [ 3.51e-05 -2.62e-05 1.6e-06 ] [ -1.31e-05 -6.5e-06 2.16e-05 ] [ 1.2e-05 2.12e-05 -1.9e-05 ] [ 3.01e-05 1.47e-05 1.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.870616927232e-14 -3.060157345728e-14 -7.081620663936001e-14 ] [ -1.057436569728e-14 -2.88391791744e-15 -6.568924145279999e-15 ] [ -4.32587687616e-14 2.835852618816e-14 5.030834589312e-14 ] [ 5.623639939008e-14 -4.197702746496e-14 2.56348259328e-15 ] [ -2.098851373248e-14 -1.04141480352e-14 3.460701500928e-14 ] [ 1.92261194496e-14 3.396614436096001e-14 -3.04413557952e-14 ] [ 4.822551628608e-14 2.355199632576e-14 2.034764308416e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.350653 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.619663397141338e-18 } }