{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.295684 -6.5958316 -15.490936 ] [ -1.7978425 -0.254211 4.8115039 ] [ -10.059717 -7.0605748 4.0365599 ] [ -5.054152 3.0781067 -1.6855321 ] [ 10.9283633 -10.158521 12.9682246 ] [ 5.2584253 14.5910073 -9.0994343 ] [ 4.0206068 6.4000244 4.4596141 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.280267897847656e-09 -1.056768727131883e-08 -2.481921569798942e-08 ] [ -2.880461245112145e-09 -4.07290924305774e-10 7.70887912297987e-09 ] [ -1.611744352205257e-08 -1.131228796716922e-08 6.467281953521376e-09 ] [ -8.097644239084368e-09 4.931670631698847e-09 -2.700520146476951e-09 ] [ 1.750916832712313e-08 -1.627574498219831e-08 2.077738643858399e-08 ] [ 8.42492614729444e-09 2.337737096258343e-08 -1.457890101807815e-08 ] [ 6.441722269461511e-09 1.025396955070987e-08 7.145089507676938e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.711702 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.075333211877107e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6306187 1.7116536 0.6289154 ] [ 0.6632234 3.1459097 5.9749478 ] [ 1.8887797 1.1564723 2.9277489 ] [ 1.2431915 3.3812185 3.6678597 ] [ 4.112398 1.3737131 4.1215449 ] [ 4.0031886 3.7995078 1.1869082 ] [ 3.6360251 3.8142361 3.6380632 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6306187e-10 1.7116536e-10 6.289154e-11 ] [ 6.632234e-11 3.1459097e-10 5.9749478e-10 ] [ 1.8887797e-10 1.1564723e-10 2.9277489e-10 ] [ 1.2431915e-10 3.3812185e-10 3.6678597e-10 ] [ 4.112398e-10 1.3737131e-10 4.1215449e-10 ] [ 4.0031886e-10 3.7995078e-10 1.1869082e-10 ] [ 3.6360251e-10 3.8142361e-10 3.6380632e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.8e-06 -4e-07 -2.2e-06 ] [ 3.4e-06 1.8e-06 -2.91e-05 ] [ 1.32e-05 4.13e-05 1.57e-05 ] [ 1.63e-05 -8e-06 -2.3e-06 ] [ 1.28e-05 8.2e-06 -1.78e-05 ] [ -1.53e-05 -1.91e-05 1.24e-05 ] [ -2.36e-05 -2.38e-05 2.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.08948011112e-14 -6.408706536e-16 -3.5247885948e-15 ] [ 5.4474005556e-15 2.8839179412e-15 -4.66233400494e-14 ] [ 2.11487315688e-14 6.61698949842e-14 2.515417315379999e-14 ] [ 2.61154791342e-14 -1.2817413072e-14 -3.685006258199999e-15 ] [ 2.05078609152e-14 1.31378483988e-14 -2.851874408519999e-14 ] [ -2.45133025002e-14 -3.06015737094e-14 1.98669902616e-14 ] [ -3.78113685624e-14 -3.81318038892e-14 3.749093323559999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.454083 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.277105385249662e-18 } }