{ "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" [ [ 1.839954 1.796871 1.93364 ] [ 2.210383 3.445619 3.048606 ] [ 3.819674 1.353604 3.225037 ] [ 4.546382 3.666644 2.852587 ] [ 3.625014 3.17012 0.7912526 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.839954e-10 1.796871e-10 1.93364e-10 ] [ 2.210383e-10 3.445619e-10 3.048606e-10 ] [ 3.819674e-10 1.353604e-10 3.225037e-10 ] [ 4.546382e-10 3.666644e-10 2.852587000000001e-10 ] [ 3.625014e-10 3.17012e-10 7.912526e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2488954 -3.1679301 -2.631303 ] [ 0.4926765 3.4043271 2.3275779 ] [ 0.0171462 0.4786091 -0.0921899 ] [ 0.4491476 -0.2852839 0.443861 ] [ -0.7100749 -0.4297221 -0.047946 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.987743909046643e-10 -5.075583542548606e-09 -4.215812148840902e-09 ] [ 7.893547699175713e-10 5.454333289175864e-09 3.72919089447076e-09 ] [ 2.747124077556096e-11 7.668163105221293e-10 -1.477045024538899e-10 ] [ 7.1961378400843e-10 -4.570751948706451e-10 7.111437170849088e-10 ] [ -1.137665403796898e-09 -6.884907020610796e-10 -7.681796026087681e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -15.409093 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.468808855233294e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1394672 1.5312378 1.6646332 ] [ 2.3002202 3.5358708 3.0827087 ] [ 3.5915354 1.4957222 3.557679 ] [ 4.7311439 3.4172403 2.7195597 ] [ 3.2790404 3.452787 0.826542 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1394672e-10 1.5312378e-10 1.6646332e-10 ] [ 2.3002202e-10 3.5358708e-10 3.0827087e-10 ] [ 3.5915354e-10 1.4957222e-10 3.557679e-10 ] [ 4.7311439e-10 3.4172403e-10 2.7195597e-10 ] [ 3.2790404e-10 3.452787e-10 8.26542e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.33e-05 -1.81e-05 4e-06 ] [ -1.46e-05 1.42e-05 2.63e-05 ] [ 5e-06 -2.1e-06 -1.42e-05 ] [ 1.8e-06 5.8e-06 5.4e-06 ] [ 2.1e-05 2e-07 -2.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.130894905664e-14 -2.899939683648e-14 6.4087064832e-15 ] [ -2.339177866368e-14 2.275090801536e-14 4.213724512704e-14 ] [ 8.010883104e-15 -3.36457090368e-15 -2.275090801536e-14 ] [ 2.88391791744e-15 9.292624400640001e-15 8.65175375232e-15 ] [ 3.36457090368e-14 3.2043532416e-16 -3.44467973472e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }