{ "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" [ [ 2.599025 3.051266 5.123232 ] [ 1.56583 2.880417 3.388537 ] [ 2.27514 4.963397 2.856014 ] [ 3.509207 1.897473 3.301843 ] [ 3.336514 3.219201 1.422465 ] [ 4.208969 3.943636 3.692529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.599025e-10 3.051266e-10 5.123232e-10 ] [ 1.56583e-10 2.880417e-10 3.388537e-10 ] [ 2.27514e-10 4.963397e-10 2.856014e-10 ] [ 3.509207e-10 1.897473e-10 3.301843e-10 ] [ 3.336514e-10 3.219201e-10 1.422465e-10 ] [ 4.208969e-10 3.943636e-10 3.692529e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.963529 1.7121772 5.7457029 ] [ -4.7794945 0.0301917 -5.9473366 ] [ 0.3970268 0.0988193 0.3238735 ] [ 2.3757388 -5.3302797 -0.3503407 ] [ -1.0192268 1.250466 0.885591 ] [ 1.0624267 2.2386257 -0.6574901 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.145920258062804e-09 2.743210280506806e-09 9.205630856442761e-09 ] [ -7.657594347142186e-09 4.837243588220736e-11 -9.52868365654816e-09 ] [ 6.361070567910375e-10 1.583259721438214e-10 5.189025497966688e-10 ] [ 3.806353162487447e-09 -8.540049517664837e-09 -5.613076788547065e-10 ] [ -1.632981350252797e-09 2.003467390305293e-09 1.418873195790893e-09 ] [ 1.702195220053695e-09 3.586673759262035e-09 -1.053415266627454e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.592575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.459511884787056e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6009728 3.3423253 5.0382405 ] [ 1.4628369 2.7234008 3.0403684 ] [ 2.2603529 4.9636495 3.1634536 ] [ 3.5712068 1.6881459 3.4314183 ] [ 3.2305928 3.3094736 1.5566349 ] [ 4.3687228 3.9283949 3.5545043 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6009728e-10 3.3423253e-10 5.0382405e-10 ] [ 1.4628369e-10 2.7234008e-10 3.040368400000001e-10 ] [ 2.2603529e-10 4.9636495e-10 3.1634536e-10 ] [ 3.5712068e-10 1.6881459e-10 3.4314183e-10 ] [ 3.2305928e-10 3.3094736e-10 1.5566349e-10 ] [ 4.3687228e-10 3.9283949e-10 3.5545043e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.28e-05 -1.28e-05 1.24e-05 ] [ 2.01e-05 9e-06 1.46e-05 ] [ -1.81e-05 4.41e-05 7.5e-06 ] [ 1.6e-05 -3.51e-05 1e-05 ] [ -1.61e-05 -1.66e-05 -5.85e-05 ] [ 3.09e-05 1.14e-05 1.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.255139316223999e-14 -2.050786074624e-14 1.986699009792e-14 ] [ 3.220375007808e-14 1.44195895872e-14 2.339177866368e-14 ] [ -2.899939683648e-14 7.065598897728e-14 1.2016324656e-14 ] [ 2.56348259328e-14 -5.623639939008e-14 1.6021766208e-14 ] [ -2.579504359488e-14 -2.659613190528e-14 -9.37273323168e-14 ] [ 4.950725758272e-14 1.826481347712e-14 2.227025502912e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.062777 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.855281874092396e-18 } }