{ "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" [ [ 2.266958 0.2808875 2.923165 ] [ 1.972839 2.886908 2.420784 ] [ 0.6227844 1.897999 3.691493 ] [ 3.0949 1.65874 4.813271 ] [ 4.223624 2.255199 3.062463 ] [ 4.675559 3.55825 4.934237 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.266958e-10 2.808875e-11 2.923165e-10 ] [ 1.972839e-10 2.886908e-10 2.420784e-10 ] [ 6.227844000000001e-11 1.897999e-10 3.691493e-10 ] [ 3.0949e-10 1.65874e-10 4.813271e-10 ] [ 4.223624e-10 2.255199e-10 3.062463e-10 ] [ 4.675559e-10 3.55825e-10 4.934237000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.048921 1.3983558 0.4100046 ] [ 2.3054684 0.8985976 -1.66332 ] [ -1.0147435 -1.782501 1.8805562 ] [ -1.8058057 -0.8922547 1.4386062 ] [ 0.4508625 0.0407096 -2.5003382 ] [ 0.0152973 0.3370928 0.4344912 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.838008246615681e-11 2.240412970320081e-09 6.568997845404556e-10 ] [ 3.693767570473183e-09 1.43971206622699e-09 -2.664932416909056e-09 ] [ -1.625798311808765e-09 -2.855881428752621e-09 3.012983177740489e-09 ] [ -2.893219674247379e-09 -1.429549620138918e-09 2.304901220177929e-09 ] [ 7.2236135669544e-10 6.522396936211968e-11 -4.005983408133154e-09 ] [ 2.450897642136384e-11 5.400822032000103e-10 6.961316425833371e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.7070409304906775 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.143687552780842e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3220279 0.7019975 2.8375588 ] [ 2.4033522 3.0087645 2.2996694 ] [ 1.2582914 2.28509 4.2444689 ] [ 3.2155363 1.1705614 4.9821327 ] [ 4.3605964 1.8942397 3.0373355 ] [ 3.2968602 3.4773303 4.4442477 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3220279e-10 7.019975000000001e-11 2.8375588e-10 ] [ 2.4033522e-10 3.0087645e-10 2.2996694e-10 ] [ 1.2582914e-10 2.28509e-10 4.2444689e-10 ] [ 3.2155363e-10 1.1705614e-10 4.982132700000001e-10 ] [ 4.3605964e-10 1.8942397e-10 3.0373355e-10 ] [ 3.2968602e-10 3.477330300000001e-10 4.4442477e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-05 -2.1e-05 -1.93e-05 ] [ 1.12e-05 7.6e-06 8.7e-06 ] [ 3e-07 -6.2e-06 1.14e-05 ] [ -1.25e-05 4.1e-06 2.2e-05 ] [ 1.35e-05 6.1e-06 -1.71e-05 ] [ -1.5e-06 9.4e-06 -5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-14 -3.36457090368e-14 -3.092200878144e-14 ] [ 1.794437815296e-14 1.217654231808e-14 1.393893660096e-14 ] [ 4.8065298624e-16 -9.93349504896e-15 1.826481347712e-14 ] [ -2.002720776e-14 6.568924145279999e-15 3.52478856576e-14 ] [ 2.16293843808e-14 9.77327738688e-15 -2.739722021568e-14 ] [ -2.4032649312e-15 1.506046023552e-14 -9.13240673856e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }