{ "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" [ [ 1.1028 0.2583089 1.436622 ] [ 0.0542075 1.282802 2.764068 ] [ 0.3917807 2.567162 0.7355983 ] [ 2.495357 1.268739 0.0869323 ] [ 2.96001 0.2024969 2.578704 ] [ 2.541972 2.542294 2.28683 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1028e-10 2.583089e-11 1.436622e-10 ] [ 5.42075e-12 1.282802e-10 2.764068e-10 ] [ 3.917807e-11 2.567162e-10 7.355983000000001e-11 ] [ 2.495357e-10 1.268739e-10 8.693230000000001e-12 ] [ 2.96001e-10 2.024969e-11 2.578704e-10 ] [ 2.541972e-10 2.542294e-10 2.28683e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.0536585 -15.3938894 -7.9682245 ] [ -7.069689 4.9824707 8.5560879 ] [ -0.8140042 2.2515325 -1.4661614 ] [ 3.993271 2.1263662 -4.9690135 ] [ 4.8719526 -2.0990207 3.0054261 ] [ 4.0721282 8.1325407 2.8418854 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.096853498207198e-09 -2.466372969986094e-08 -1.276650300318577e-08 ] [ -1.132689043212693e-08 7.982798069361011e-09 1.370836399888977e-08 ] [ -1.304178498473007e-09 3.607352732471377e-09 -2.349049517399397e-09 ] [ 6.397925436718637e-09 3.406814212899337e-09 -7.961237258139581e-09 ] [ 7.805728553365774e-09 -3.363001892115251e-09 4.815223432962123e-09 ] [ 6.524268598940386e-09 1.302976657724447e-08 4.553202346872856e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.7462075 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.241079255636562e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2710823 -0.3118421 1.594445 ] [ -0.5557783 1.1209614 2.1536949 ] [ 0.663952 3.0174281 1.3532658 ] [ 1.9745631 1.3690924 -0.0682578 ] [ 3.0965136 0.3932668 2.9632878 ] [ 3.0957945 2.5328963 1.8923189 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2710823e-10 -3.118421e-11 1.594445e-10 ] [ -5.557783e-11 1.1209614e-10 2.1536949e-10 ] [ 6.63952e-11 3.0174281e-10 1.3532658e-10 ] [ 1.9745631e-10 1.3690924e-10 -6.825779999999999e-12 ] [ 3.0965136e-10 3.932668e-11 2.9632878e-10 ] [ 3.0957945e-10 2.5328963e-10 1.8923189e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.6e-06 -1.14e-05 -1.55e-05 ] [ -7e-07 2.55e-05 -3.2e-06 ] [ -7.4e-06 -5.3e-06 4.9e-06 ] [ 7.1e-06 -5.8e-06 2.55e-05 ] [ 1.09e-05 -2.17e-05 9.5e-06 ] [ -1.66e-05 1.87e-05 -2.12e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.057436569728e-14 -1.826481347712e-14 -2.48337376224e-14 ] [ -1.12152363456e-15 4.08555038304e-14 -5.126965186560001e-15 ] [ -1.185610699392e-14 -8.491536090240001e-15 7.850665441919999e-15 ] [ 1.137545400768e-14 -9.292624400640001e-15 4.08555038304e-14 ] [ 1.746372516672e-14 -3.476723267136e-14 1.52206778976e-14 ] [ -2.659613190528e-14 2.996070280896e-14 -3.396614436096001e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.521764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.326643077357509e-18 } }