{ "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" [ [ 0.0450915 0.6744384 2.108849 ] [ 0.1091138 2.224666 0.3426204 ] [ 1.10319 2.788623 2.698849 ] [ 2.780637 1.123883 1.270131 ] [ 2.821139 0.9081744 2.973557 ] [ 2.438974 2.484533 0.05951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.50915e-12 6.744384e-11 2.108849e-10 ] [ 1.091138e-11 2.224666e-10 3.426204e-11 ] [ 1.10319e-10 2.788623e-10 2.698849e-10 ] [ 2.780637e-10 1.123883e-10 1.270131e-10 ] [ 2.821139e-10 9.081744000000001e-11 2.973557e-10 ] [ 2.438974e-10 2.484533e-10 5.951e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1443113 -3.011492 0.7843665 ] [ -2.8734297 2.3238921 -1.1192891 ] [ -1.2171599 1.3437597 1.9003284 ] [ 2.4019968 -5.1256227 -41.093391 ] [ 3.8417181 -8.6737886 56.3391535 ] [ -0.008814 13.1432514 -16.8111683 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.435565460882164e-09 -4.824942115877928e-09 1.256693678792361e-09 ] [ -4.60374192478163e-09 3.723285622557191e-09 -1.793298842710889e-09 ] [ -1.950105151621776e-09 2.152940393050849e-09 3.044661759406605e-09 ] [ 3.84842314790277e-09 -8.212152924639992e-09 -6.583887087202588e-08 ] [ 6.155110974234875e-09 -1.389694142317557e-08 9.026527531703931e-08 ] [ -1.4121584852076e-11 2.105781028786778e-08 -2.69344610405015e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.0388804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.073176438400573e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4377202 0.4435017 2.074607 ] [ -0.0192127 2.2846869 0.4153447 ] [ 1.1045645 3.0681606 2.5746174 ] [ 2.7445446 0.4111006 0.8366371 ] [ 2.6068423 1.1529762 3.2281723 ] [ 2.4236865 2.8438919 0.3241379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.377202e-11 4.435017e-11 2.074607e-10 ] [ -1.92127e-12 2.2846869e-10 4.153447e-11 ] [ 1.1045645e-10 3.0681606e-10 2.5746174e-10 ] [ 2.7445446e-10 4.111006e-11 8.366371000000001e-11 ] [ 2.6068423e-10 1.1529762e-10 3.2281723e-10 ] [ 2.4236865e-10 2.8438919e-10 3.241379e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.8e-06 -1.8e-05 -9.2e-06 ] [ 1.67e-05 4.7e-06 2.14e-05 ] [ 9e-07 8.9e-06 -2.9e-06 ] [ -8.5e-06 8.9e-06 1.06e-05 ] [ -1.48e-05 1.5e-06 -8.4e-06 ] [ -3.1e-06 -6.1e-06 -1.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.40991543792e-14 -2.8839179412e-14 -1.47400250328e-14 ] [ 2.67563497878e-14 7.530230179799999e-15 3.42865799676e-14 ] [ 1.4419589706e-15 1.42593720426e-14 -4.6463122386e-15 ] [ -1.3618501389e-14 1.42593720426e-14 1.69830723204e-14 ] [ -2.37122141832e-14 2.403264951e-15 -1.34582837256e-14 ] [ -4.9667475654e-15 -9.773277467399999e-15 -1.8425031291e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.824633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.535385723422532e-18 } }