{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6496475 -2.9113379 -1.6296981 ] [ -0.6318611 0.527479 1.4324691 ] [ 1.5633682 1.2020063 -1.6126612 ] [ -0.3305341 0.9592493 1.3333465 ] [ 1.3564217 -0.5640464 2.2793318 ] [ -1.3823768 1.4459605 -0.9895287 ] [ 0.0746295 -0.6593108 -0.8132594 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.040850044836515e-09 -4.664477557058628e-09 -2.611064216294195e-09 ] [ -1.012353090353537e-09 8.45114528725686e-10 2.295068520947009e-09 ] [ 2.504792000378638e-09 1.925826407780794e-09 -2.583768093198401e-09 ] [ -5.295740117602193e-10 1.536886814640856e-09 2.136256607325681e-09 ] [ 2.173227153590558e-09 -9.037019625718175e-10 3.651892151093161e-09 ] [ -2.214811808343691e-09 2.316684126786957e-09 -1.585399761812396e-09 ] [ 1.19569641107103e-10 -1.056332358303847e-09 -1.302985208060859e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.222701005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.919598575980585e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8700054 1.8572687 2.0406501 ] [ 1.8409147 2.5595996 3.9616323 ] [ 2.6376156 3.9187915 1.0562825 ] [ 2.1067355 4.8028892 3.1452235 ] [ 4.9325883 2.5280917 2.7946273 ] [ 4.9505184 3.983836 0.9952062 ] [ 3.8705751 3.7343361 4.4810791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8700054e-10 1.8572687e-10 2.0406501e-10 ] [ 1.8409147e-10 2.5595996e-10 3.9616323e-10 ] [ 2.6376156e-10 3.9187915e-10 1.0562825e-10 ] [ 2.1067355e-10 4.8028892e-10 3.1452235e-10 ] [ 4.9325883e-10 2.5280917e-10 2.7946273e-10 ] [ 4.9505184e-10 3.983836e-10 9.952062e-11 ] [ 3.8705751e-10 3.7343361e-10 4.4810791e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.4e-06 6e-06 1.92e-05 ] [ 3.4e-06 2.61e-05 -2.72e-05 ] [ -1.92e-05 -9.8e-06 1.49e-05 ] [ 5.5e-06 3.5e-06 -4.7e-06 ] [ 3.1e-05 -2.9e-06 2.02e-05 ] [ -1.37e-05 1.04e-05 1.2e-06 ] [ -8.4e-06 -3.33e-05 -2.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.2430472876e-15 9.613059803999999e-15 3.076179137279999e-14 ] [ 5.4474005556e-15 4.18168101474e-14 -4.35792044448e-14 ] [ -3.076179137279999e-14 -1.57013310132e-14 2.38724318466e-14 ] [ 8.811971486999999e-15 5.607618218999999e-15 -7.530230179799999e-15 ] [ 4.966747565399999e-14 -4.6463122386e-15 3.236396800679999e-14 ] [ -2.19498198858e-14 1.66626369936e-14 1.9226119608e-15 ] [ -1.34582837256e-14 -5.33524819122e-14 -3.78113685624e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.329594005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.257160049474401e-18 } }