{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0050942 -3.9048533 0.0938667 ] [ 0.347796 2.0271659 -0.7150464 ] [ 0.3624777 -2.1496457 1.0703074 ] [ -1.7893428 -2.7816072 -0.4433941 ] [ -0.5062232 -0.1805332 -2.211736 ] [ 0.8821037 5.3488694 -0.4944129 ] [ 0.7082828 1.6406042 2.7004153 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.16180814167936e-12 -6.256264664913729e-09 1.503910322116474e-10 ] [ 5.572306200077568e-10 3.247877811462991e-09 -1.145630624867205e-09 ] [ 5.807532965013562e-10 -3.444112083543251e-09 1.714821493349234e-09 ] [ -2.86684320075681e-09 -4.45662602408895e-09 -7.103956608206573e-10 ] [ -8.110589759465626e-10 -2.892460723182106e-10 -3.543591710581709e-09 ] [ 1.413285925261177e-09 8.569833500392524e-09 -7.921367894019283e-10 ] [ 1.134794143074762e-09 2.628537693226287e-09 4.326542260110618e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.898875 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.63011018924216e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7396721 2.4294262 3.45857 ] [ 2.80056 4.602147 2.6165696 ] [ 5.8170489 2.7327167 1.2372643 ] [ 3.4913648 2.7557489 1.1285105 ] [ 4.9070824 1.6816074 3.1764098 ] [ 4.9961006 4.8582297 1.9453466 ] [ 4.4985441 3.9495343 4.2818011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7396721e-10 2.4294262e-10 3.45857e-10 ] [ 2.80056e-10 4.602147000000001e-10 2.6165696e-10 ] [ 5.8170489e-10 2.7327167e-10 1.2372643e-10 ] [ 3.4913648e-10 2.7557489e-10 1.1285105e-10 ] [ 4.907082400000001e-10 1.6816074e-10 3.1764098e-10 ] [ 4.996100600000001e-10 4.8582297e-10 1.9453466e-10 ] [ 4.498544100000001e-10 3.9495343e-10 4.2818011e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.25e-05 -2e-05 3.9e-06 ] [ 9.7e-06 1.13e-05 -2.2e-05 ] [ -6.3e-06 -2.01e-05 -2.6e-06 ] [ -3.07e-05 5.6e-06 2.51e-05 ] [ 2.64e-05 3.22e-05 -2.17e-05 ] [ 2.33e-05 -8.3e-06 2.54e-05 ] [ -3.5e-05 -7e-07 -8.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.002720776e-14 -3.2043532416e-14 6.24848882112e-15 ] [ 1.554111322176e-14 1.810459581504e-14 -3.52478856576e-14 ] [ -1.009371271104e-14 -3.220375007808e-14 -4.16565921408e-15 ] [ -4.918682225856e-14 8.972189076479999e-15 4.021463318208e-14 ] [ 4.229746278912e-14 5.159008718975999e-14 -3.476723267136e-14 ] [ 3.733071526464e-14 -1.329806595264e-14 4.069528616832e-14 ] [ -5.6076181728e-14 -1.12152363456e-15 -1.313784829056e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }