{ "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" [ [ 1.992263 2.655886 1.517325 ] [ 2.686183 2.997874 4.828117 ] [ 1.135569 3.58045 3.551064 ] [ 3.228076 1.641916 3.257925 ] [ 4.134079 3.318369 1.708542 ] [ 3.231459 4.785804 3.060879 ] [ 4.593203 3.196107 3.900565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.992263e-10 2.655886e-10 1.517325e-10 ] [ 2.686183e-10 2.997874e-10 4.828117e-10 ] [ 1.135569e-10 3.58045e-10 3.551064e-10 ] [ 3.228076e-10 1.641916e-10 3.257925e-10 ] [ 4.134079e-10 3.318369e-10 1.708542e-10 ] [ 3.231459e-10 4.785804e-10 3.060879e-10 ] [ 4.593203e-10 3.196107e-10 3.900565e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.3965105 -4.2958404 -3.5327031 ] [ -8.7916667 2.7368042 74.0552781 ] [ -33.5774646 15.9405059 -28.920852 ] [ -11.478425 -56.2969091 -26.8073955 ] [ 26.4777968 -8.3302374 -36.5318899 ] [ -21.2747823 34.9870622 11.9241787 ] [ 63.0410523 15.2586146 9.8133837 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.306575254420172e-08 -6.882695055568121e-09 -5.660014315047685e-09 ] [ -1.408580284460589e-08 4.384843704947248e-09 1.186496352186622e-07 ] [ -5.379702876785962e-08 2.553950587670447e-08 -4.633631292801693e-08 ] [ -1.839046417860624e-08 -9.019759158332278e-08 -4.295018233463913e-08 ] [ 4.242210700325306e-08 -1.334651160799378e-08 -5.853053991141966e-08 ] [ -3.408595881366965e-08 5.605545308731541e-08 1.910464033538134e-08 ] [ 1.010029001456901e-07 2.444699557791754e-08 1.57227739350798e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 10.42806 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.670759393229965e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7064017 2.3085666 1.469229 ] [ 2.5625144 2.9590095 5.008773 ] [ 0.8765332 3.9445234 3.2510094 ] [ 3.4230782 1.2626817 3.1611672 ] [ 4.0990143 3.3931596 1.5199959 ] [ 3.2385124 5.0894948 3.3676198 ] [ 5.0947779 3.2189704 4.0466227 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7064017e-10 2.3085666e-10 1.469229e-10 ] [ 2.5625144e-10 2.9590095e-10 5.008773e-10 ] [ 8.765332e-11 3.9445234e-10 3.2510094e-10 ] [ 3.4230782e-10 1.2626817e-10 3.1611672e-10 ] [ 4.099014300000001e-10 3.3931596e-10 1.5199959e-10 ] [ 3.2385124e-10 5.0894948e-10 3.3676198e-10 ] [ 5.094777900000001e-10 3.2189704e-10 4.046622700000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.7e-06 -4.9e-06 -2.97e-05 ] [ 2.63e-05 1.31e-05 -5.1e-06 ] [ -1.47e-05 -7.1e-06 4.1e-06 ] [ -1.71e-05 2.42e-05 2.2e-05 ] [ 7.4e-06 4e-07 2.21e-05 ] [ -1.12e-05 -8e-06 1.16e-05 ] [ -4e-07 -1.77e-05 -2.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.554111322176e-14 -7.850665441919999e-15 -4.758464563776e-14 ] [ 4.213724512704e-14 2.098851373248e-14 -8.17110076608e-15 ] [ -2.355199632576e-14 -1.137545400768e-14 6.568924145279999e-15 ] [ -2.739722021568e-14 3.877267422336e-14 3.52478856576e-14 ] [ 1.185610699392e-14 6.408706483200001e-16 3.540810331968e-14 ] [ -1.794437815296e-14 -1.28174129664e-14 1.858524880128e-14 ] [ -6.408706483200001e-16 -2.835852618816e-14 -3.989419785791999e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.900855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.989556771893079e-18 } }