{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.537066 3.211759 2.539973 ] [ 6.041706 2.511317 2.608179 ] [ 4.688193 2.566304 0.9930699 ] [ 3.947295 1.472235 2.90393 ] [ 4.605333 4.643852 2.971434 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.537066e-10 3.211759e-10 2.539973e-10 ] [ 6.041706e-10 2.511317e-10 2.608179e-10 ] [ 4.688193e-10 2.566304e-10 9.930699e-11 ] [ 3.947295e-10 1.472235e-10 2.90393e-10 ] [ 4.605333e-10 4.643852e-10 2.971434e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.1479471 24.5387284 1.2248135 ] [ 97.5428585 29.4291348 74.2547464 ] [ -56.6674499 -1.0665319 -92.7672078 ] [ -28.3124945 -51.7774429 15.2275784 ] [ 5.5850331 -1.1238884 2.0600696 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.907621655913516e-08 3.931537694664099e-08 1.962367554540221e-09 ] [ 1.562808874147025e-07 4.715067174693169e-08 1.18969218665513e-07 ] [ -9.079126339013531e-08 -1.708772475517403e-09 -1.486294515140554e-07 ] [ -4.536161676442858e-08 -8.295660849918696e-08 2.439727010387907e-08 ] [ 8.94820945921415e-09 -1.800667718868319e-09 3.300595350340808e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 38.690409 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.198886874898991e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4138004 3.4117769 2.2728935 ] [ 6.3544792 2.618287 2.6682475 ] [ 4.4799222 2.4556579 0.3932125 ] [ 3.9122395 1.0835081 3.2975823 ] [ 4.6591517 4.8362371 3.3846501 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4138004e-10 3.4117769e-10 2.2728935e-10 ] [ 6.354479200000001e-10 2.618287e-10 2.6682475e-10 ] [ 4.4799222e-10 2.4556579e-10 3.932125e-11 ] [ 3.9122395e-10 1.0835081e-10 3.2975823e-10 ] [ 4.6591517e-10 4.8362371e-10 3.3846501e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.69e-05 1.7e-06 -2.18e-05 ] [ -5.2e-06 -6.3e-06 -1.77e-05 ] [ -1.87e-05 -1.3e-06 4.2e-06 ] [ 1.9e-06 4.8e-06 1.45e-05 ] [ -2.49e-05 1e-06 2.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.514208351552e-14 2.72370025536e-15 -3.492745033344e-14 ] [ -8.33131842816e-15 -1.009371271104e-14 -2.835852618816e-14 ] [ -2.996070280896e-14 -2.08282960704e-15 6.72914180736e-15 ] [ 3.04413557952e-15 7.69044777984e-15 2.32315610016e-14 ] [ -3.989419785791999e-14 1.6021766208e-15 3.332527371264e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.133456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.943993953270549e-18 } }