{ "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" [ [ 0.7655839 2.475119 1.769415 ] [ 1.428497 2.830976 4.007072 ] [ 0.7084804 4.393179 2.503204 ] [ 3.286235 1.82381 2.638008 ] [ 3.156295 4.152222 2.34568 ] [ 4.226983 3.319682 4.150219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.655839e-11 2.475119e-10 1.769415e-10 ] [ 1.428497e-10 2.830976e-10 4.007072e-10 ] [ 7.084804e-11 4.393179e-10 2.503204e-10 ] [ 3.286235e-10 1.82381e-10 2.638008e-10 ] [ 3.156295e-10 4.152222e-10 2.34568e-10 ] [ 4.226983e-10 3.319682e-10 4.150219e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4969007 -3.2460707 -1.1574202 ] [ 0.6581575 -0.714368 1.0881639 ] [ 0.2426966 3.3027583 0.652496 ] [ -0.8102661 -0.3860813 -0.1861775 ] [ -0.2028655 1.3217215 -1.0030851 ] [ -0.3846232 -0.2779598 0.606023 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.961226843991545e-10 -5.200778585003891e-09 -1.85439158488166e-09 ] [ 1.054484559304176e-09 -1.144543708247655e-09 1.743430760178549e-09 ] [ 3.888428184676493e-10 5.291602132413152e-09 1.045413836365517e-09 ] [ -1.298189402046795e-09 -6.185704325880711e-10 -2.98289237818992e-10 ] [ -3.250263612669024e-10 2.117631286508707e-09 -1.60711949589283e-09 ] [ -6.162342988572826e-10 -4.453406930822438e-10 9.709558822670783e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.977964 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.720169698958405e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0186726 2.0481454 2.2397588 ] [ 1.2640535 3.0333883 4.392424 ] [ 1.0454687 4.4171065 2.4682486 ] [ 3.323901 2.0473803 1.9773356 ] [ 3.3506963 4.4163432 2.2058281 ] [ 3.5692822 3.0326244 4.1300029 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0186726e-10 2.0481454e-10 2.2397588e-10 ] [ 1.2640535e-10 3.0333883e-10 4.392424e-10 ] [ 1.0454687e-10 4.4171065e-10 2.4682486e-10 ] [ 3.323901e-10 2.0473803e-10 1.9773356e-10 ] [ 3.3506963e-10 4.4163432e-10 2.2058281e-10 ] [ 3.5692822e-10 3.0326244e-10 4.1300029e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.46e-05 -5.7e-06 -1.71e-05 ] [ 1.81e-05 8.5e-06 9.1e-06 ] [ 1.58e-05 -5.4e-06 2.8e-06 ] [ -1.88e-05 1.09e-05 -0.0 ] [ -1.21e-05 -1.52e-05 5.2e-06 ] [ -1.77e-05 7e-06 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.339177866368e-14 -9.13240673856e-15 -2.739722021568e-14 ] [ 2.899939683648e-14 1.36185012768e-14 1.457980724928e-14 ] [ 2.531439060864e-14 -8.65175375232e-15 4.48609453824e-15 ] [ -3.012092047104e-14 1.746372516672e-14 0.0 ] [ -1.938633711168e-14 -2.435308463616e-14 8.33131842816e-15 ] [ -2.835852618816e-14 1.12152363456e-14 0.0 ] ] } "relaxed-potential-energy" { "source-value" -18.930693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.033031374014222e-18 } }