{ "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" [ [ 1.480644 1.446872 2.305559 ] [ 2.063952 3.613106 1.277693 ] [ 1.847715 3.513174 3.941338 ] [ 3.676983 1.999062 1.431631 ] [ 3.525184 1.303022 4.049537 ] [ 4.005288 3.245475 3.233925 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.480644e-10 1.446872e-10 2.305559e-10 ] [ 2.063952e-10 3.613106000000001e-10 1.277693e-10 ] [ 1.847715e-10 3.513174e-10 3.941338e-10 ] [ 3.676983e-10 1.999062e-10 1.431631e-10 ] [ 3.525184e-10 1.303022e-10 4.049537e-10 ] [ 4.005288e-10 3.245475e-10 3.233925e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2914699 -28.5709969 30.6959937 ] [ -21.8038128 35.0990485 -10.4965259 ] [ -19.9398011 6.5737581 -2.2128361 ] [ 29.4988587 -18.2030924 -19.9258507 ] [ -37.5112552 -68.4792498 13.2343291 ] [ 53.0474804 73.5805325 -11.2951101 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.273516165294317e-09 -4.577578364326643e-08 4.91804038635512e-08 ] [ -3.493355940027011e-08 5.623487538233274e-08 -1.681728853515582e-08 ] [ -3.19470834090275e-08 1.053232162538823e-08 -3.545354294291687e-09 ] [ 4.726238213880761e-08 -2.916456930982298e-08 -3.192473240411254e-08 ] [ -6.009965659345099e-08 -1.097158539434092e-07 2.120373285068625e-08 ] [ 8.499143358945296e-08 1.178890098887776e-07 -1.80967614806774e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 23.289942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.731460087961522e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1380138 1.0542685 2.3490346 ] [ 1.6719293 3.737839 1.0698847 ] [ 1.7790714 3.7565469 3.9777873 ] [ 3.9902812 1.9825489 1.1790018 ] [ 3.3754323 0.9672712 4.1718738 ] [ 4.645038 3.6222364 3.4921007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1380138e-10 1.0542685e-10 2.3490346e-10 ] [ 1.6719293e-10 3.737839e-10 1.0698847e-10 ] [ 1.7790714e-10 3.7565469e-10 3.9777873e-10 ] [ 3.9902812e-10 1.9825489e-10 1.1790018e-10 ] [ 3.3754323e-10 9.672712e-11 4.1718738e-10 ] [ 4.645038e-10 3.6222364e-10 3.4921007e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.22e-05 -2.07e-05 -2.89e-05 ] [ 3.06e-05 4e-06 5.09e-05 ] [ -2.54e-05 4.75e-05 2.6e-06 ] [ 2.13e-05 -9.8e-06 -1.3e-05 ] [ 2.9e-05 -3.14e-05 2.38e-05 ] [ -2.33e-05 1.04e-05 -3.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.159008761479998e-14 -3.316505632379999e-14 -4.63029047226e-14 ] [ 4.90266050004e-14 6.408706535999999e-15 8.155079067059998e-14 ] [ -4.06952865036e-14 7.6103390115e-14 4.165659248399999e-15 ] [ 3.41263623042e-14 -1.57013310132e-14 -2.082829624199999e-14 ] [ 4.6463122386e-14 -5.030834630759999e-14 3.81318038892e-14 ] [ -3.733071557219999e-14 1.66626369936e-14 -5.6877270507e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.167678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.430129928363585e-18 } }