{ "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" [ [ 2.18156 2.402287 4.241396 ] [ 0.8961477 3.559566 3.04631 ] [ 5.464384 2.707991 2.659357 ] [ 3.611912 1.298545 2.707748 ] [ 3.448769 3.905478 2.40265 ] [ 4.321729 3.291274 4.492065 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.18156e-10 2.402287e-10 4.241396e-10 ] [ 8.961477e-11 3.559566e-10 3.04631e-10 ] [ 5.464384e-10 2.707991e-10 2.659357e-10 ] [ 3.611912e-10 1.298545e-10 2.707748e-10 ] [ 3.448769e-10 3.905478e-10 2.40265e-10 ] [ 4.321729000000001e-10 3.291274e-10 4.492065e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 12.7837889 -4.0594135 1.2742452 ] [ -1.8800808 5.3320462 -6.1977989 ] [ -6.2640683 0.0542509 0.5130713 ] [ 0.3256096 9.1269054 3.6199 ] [ -0.1837924 -8.038081 6.5568735 ] [ -4.7814571 -2.415708 -5.7662911 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.048188770082255e-08 -6.5038974038599e-09 2.04156586860662e-09 ] [ -3.012221502974961e-09 8.54287976266548e-09 -9.929968497999957e-09 ] [ -1.00361437813544e-08 8.691952363735873e-11 8.220308416634631e-10 ] [ 5.216840886280397e-10 1.462291445213327e-08 5.79971914963392e-09 ] [ -2.944678863607219e-10 -1.287842545429668e-08 1.050526942724307e-08 ] [ -7.660738778978169e-09 -3.870390880279527e-09 -9.238616789147115e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.270046 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.529360677014056e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2478117 2.8049975 4.5069549 ] [ 1.47256 2.9853085 2.4355586 ] [ 5.1209518 2.8682101 2.3269396 ] [ 3.2732236 1.7710598 2.8367328 ] [ 3.3497388 4.0015662 3.0022501 ] [ 4.4602158 2.7339989 4.44109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2478117e-10 2.8049975e-10 4.5069549e-10 ] [ 1.47256e-10 2.9853085e-10 2.4355586e-10 ] [ 5.120951800000001e-10 2.868210100000001e-10 2.3269396e-10 ] [ 3.2732236e-10 1.7710598e-10 2.8367328e-10 ] [ 3.3497388e-10 4.0015662e-10 3.0022501e-10 ] [ 4.4602158e-10 2.7339989e-10 4.44109e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.34e-05 8.26e-05 0.0002208 ] [ -3.61e-05 -5.81e-05 -7.12e-05 ] [ -0.0001188 4.85e-05 4.66e-05 ] [ 0.0001079 1.05e-05 -0.0001147 ] [ 9.73e-05 1.56e-05 -0.0001061 ] [ -2.69e-05 -9.92e-05 2.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.749093292672001e-14 1.3233978887808e-13 3.5376059787264e-13 ] [ -5.783857601088001e-14 -9.308646166848001e-14 -1.1407497540096e-13 ] [ -1.9033858255104e-13 7.77055661088e-14 7.466143052928e-14 ] [ 1.7287485738432e-13 1.68228545184e-14 -1.8376965840576e-13 ] [ 1.5589178520384e-13 2.499395528448e-14 -1.6999093946688e-13 ] [ -4.309855109952001e-14 -1.5893592078336e-13 3.941354487168e-14 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }