{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.437638 -1.8605546 0.5834535 ] [ 4.3805287 4.4706838 1.7331452 ] [ -11.2106575 -7.125391 5.2398048 ] [ -0.2835989 2.7590912 0.2597931 ] [ 1.4614377 -8.9636479 -13.6795331 ] [ 7.0215982 -11.3794507 11.5476957 ] [ 0.0683297 22.0992693 -5.6843592 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.303350011750492e-09 -2.980937106401216e-09 9.347955647255188e-10 ] [ 7.018380727706395e-09 7.162825122362328e-09 2.776804742769257e-09 ] [ -1.796145349827685e-08 -1.141613496831389e-08 8.395092817281042e-09 ] [ -4.543755310081025e-10 4.42055145171502e-09 4.162344344944253e-10 ] [ 2.341481334986701e-09 -1.436134722078317e-08 -2.191702829684958e-08 ] [ 1.124984056937646e-08 -1.823189001929494e-08 1.850144822708227e-08 ] [ 1.094762487482298e-10 3.540693290093353e-08 -9.107347489502932e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.025749 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.567608059014887e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.038723 1.4832191 2.3122982 ] [ 1.2155171 1.4877152 4.6843696 ] [ 2.4459454 3.522425 5.3584456 ] [ 1.0607738 3.6286588 3.236715 ] [ 4.2384201 2.4524754 2.3178161 ] [ 4.7806507 3.0586147 4.6933121 ] [ 3.3112029 4.6202689 3.2423645 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.038723e-10 1.4832191e-10 2.3122982e-10 ] [ 1.2155171e-10 1.4877152e-10 4.6843696e-10 ] [ 2.4459454e-10 3.522425e-10 5.3584456e-10 ] [ 1.0607738e-10 3.6286588e-10 3.236715e-10 ] [ 4.2384201e-10 2.4524754e-10 2.3178161e-10 ] [ 4.7806507e-10 3.0586147e-10 4.6933121e-10 ] [ 3.3112029e-10 4.6202689e-10 3.2423645e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.1e-06 9e-07 1.42e-05 ] [ 2.38e-05 3.38e-05 -3.03e-05 ] [ -5.8e-06 3.9e-06 -9.8e-06 ] [ 1.58e-05 -1.15e-05 1.76e-05 ] [ -8.8e-06 1.28e-05 -2.6e-06 ] [ -1.68e-05 5.8e-06 -2.2e-06 ] [ -5.1e-06 -4.57e-05 1.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.9667475654e-15 1.4419589706e-15 2.27509082028e-14 ] [ 3.81318038892e-14 5.415357022919999e-14 -4.854595201019999e-14 ] [ -9.2926244772e-15 6.248488872599999e-15 -1.57013310132e-14 ] [ 2.53143908172e-14 -1.8425031291e-14 2.81983087584e-14 ] [ -1.40991543792e-14 2.05078609152e-14 -4.165659248399999e-15 ] [ -2.691656745119999e-14 9.2926244772e-15 -3.5247885948e-15 ] [ -8.1711008334e-15 -7.32194721738e-14 2.11487315688e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.348563 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.061287534407694e-18 } }