{ "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" [ [ 2.274506 0.3236661 2.677073 ] [ 0.5953025 1.868691 3.011541 ] [ 2.644287 1.363154 4.648241 ] [ 2.19861 3.39541 3.518323 ] [ 4.456442 1.578463 3.034766 ] [ 3.361859 3.152961 1.75355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.274506e-10 3.236661e-11 2.677073e-10 ] [ 5.953025e-11 1.868691e-10 3.011541e-10 ] [ 2.644287e-10 1.363154e-10 4.648241e-10 ] [ 2.19861e-10 3.39541e-10 3.518323e-10 ] [ 4.456442e-10 1.578463e-10 3.034766e-10 ] [ 3.361859e-10 3.152961e-10 1.75355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2195704 -6.3250903 -3.913792 ] [ -8.4156458 1.0690761 -4.1787242 ] [ 4.993542 1.0411367 8.1265311 ] [ -4.4175797 4.0881353 7.6663598 ] [ 4.7279329 -1.4722374 -0.0584355 ] [ 4.331321 1.5989796 -7.6419393 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.953967182299705e-09 -1.013391180310886e-08 -6.270586041074073e-09 ] [ -1.348335094969371e-08 1.712848733276043e-09 -6.695054218011184e-09 ] [ 8.000536247382874e-09 1.668084879796863e-09 1.302013813662411e-08 ] [ -7.077742915860678e-09 6.549914800327195e-09 1.228286243820096e-08 ] [ 7.574983557091144e-09 -2.358784342547378e-09 -9.36239919247584e-11 ] [ 6.939541243380077e-09 2.561847732256136e-09 -1.224373648403272e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.884429 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.743877767455752e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1210598 -0.0620106 2.1900799 ] [ 0.3710478 1.7126458 2.7550635 ] [ 3.3110146 1.9960505 5.191468 ] [ 1.9061001 3.4389344 3.6715798 ] [ 4.1357555 1.1778461 2.9518025 ] [ 3.6860287 3.4188789 1.8835003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1210598e-10 -6.20106e-12 2.1900799e-10 ] [ 3.710478e-11 1.7126458e-10 2.7550635e-10 ] [ 3.3110146e-10 1.9960505e-10 5.191468e-10 ] [ 1.9061001e-10 3.4389344e-10 3.6715798e-10 ] [ 4.1357555e-10 1.1778461e-10 2.9518025e-10 ] [ 3.6860287e-10 3.4188789e-10 1.8835003e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.5e-06 -5.3e-06 2.1e-05 ] [ 7.7e-06 3.8e-06 -1.47e-05 ] [ -1.4e-06 -4e-06 3.9e-06 ] [ 1.9e-06 1.16e-05 -7e-07 ] [ -1.2e-06 -1.66e-05 -2.01e-05 ] [ -1.36e-05 1.05e-05 1.06e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.04141480352e-14 -8.491536090240001e-15 3.36457090368e-14 ] [ 1.233675998016e-14 6.08827115904e-15 -2.355199632576e-14 ] [ -2.24304726912e-15 -6.4087064832e-15 6.24848882112e-15 ] [ 3.04413557952e-15 1.858524880128e-14 -1.12152363456e-15 ] [ -1.92261194496e-15 -2.659613190528e-14 -3.220375007808e-14 ] [ -2.178960204288e-14 1.68228545184e-14 1.698307218048e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.273917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.767586596703968e-18 } }