{ "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" [ [ 2.290406 1.365127 2.478138 ] [ 1.892594 2.812526 4.141756 ] [ 2.634032 3.625436 1.937955 ] [ 4.696761 2.293416 2.137678 ] [ 4.185297 2.165547 4.431715 ] [ 4.453239 5.273552 2.545611 ] [ 3.870361 4.380343 4.592008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.290406e-10 1.365127e-10 2.478138e-10 ] [ 1.892594e-10 2.812526e-10 4.141756e-10 ] [ 2.634032e-10 3.625436e-10 1.937955e-10 ] [ 4.696761000000001e-10 2.293416e-10 2.137678e-10 ] [ 4.185297000000001e-10 2.165547e-10 4.431715e-10 ] [ 4.453239e-10 5.273551999999999e-10 2.545611e-10 ] [ 3.870361e-10 4.380343e-10 4.592008e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.440784 -9.6180469 -4.6399389 ] [ -3.6200877 1.569715 5.7017248 ] [ -0.5116544 5.96128 -5.846983 ] [ 2.9304208 -0.9448839 -1.756448 ] [ 3.2837143 -3.824416 3.1813039 ] [ 0.4301443 1.1946271 -2.0088713 ] [ 0.9282468 5.6617247 5.3692125 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.512743682022706e-09 -1.540980988093791e-08 -7.43400162752047e-09 ] [ -5.800019878185645e-09 2.514960674319072e-09 9.135170172795557e-09 ] [ -8.197607176094515e-10 9.551023446042626e-09 -9.367899464815046e-09 ] [ 4.695051694866032e-09 -1.513870893950325e-09 -2.814139921250919e-09 ] [ 5.261090280846638e-09 -6.127389903413452e-09 5.097010732239862e-09 ] [ 6.891671410303814e-10 1.914003610194104e-09 -3.218566631056103e-09 ] [ 1.487215321292414e-09 9.071082947745895e-09 8.60242673960712e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.122507 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.102457392168435e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1756828 0.5171003 2.3192064 ] [ 1.67182 2.7228497 3.6278415 ] [ 2.9042441 3.8658 1.754081 ] [ 4.3979249 1.8869402 2.1890792 ] [ 3.9674177 2.4126203 4.6128179 ] [ 4.0540769 5.8003049 2.8088035 ] [ 4.8515236 4.7103315 4.9530315 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1756828e-10 5.171003e-11 2.3192064e-10 ] [ 1.67182e-10 2.7228497e-10 3.6278415e-10 ] [ 2.9042441e-10 3.8658e-10 1.754081e-10 ] [ 4.3979249e-10 1.8869402e-10 2.1890792e-10 ] [ 3.9674177e-10 2.4126203e-10 4.6128179e-10 ] [ 4.0540769e-10 5.8003049e-10 2.8088035e-10 ] [ 4.8515236e-10 4.710331499999999e-10 4.9530315e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-06 -1.01e-05 -4.1e-06 ] [ 1e-05 0.0 3.4e-06 ] [ 5e-06 -4e-06 -4e-07 ] [ -9.8e-06 4.5e-06 -4e-06 ] [ -7.3e-06 -1.1e-06 5e-06 ] [ 1.9e-06 8.2e-06 -1e-06 ] [ 1.3e-06 2.4e-06 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-15 -1.618198387008e-14 -6.568924145279999e-15 ] [ 1.6021766208e-14 0.0 5.44740051072e-15 ] [ 8.010883104e-15 -6.4087064832e-15 -6.408706483200001e-16 ] [ -1.570133088384e-14 7.2097947936e-15 -6.4087064832e-15 ] [ -1.169588933184e-14 -1.76239428288e-15 8.010883104e-15 ] [ 3.04413557952e-15 1.313784829056e-14 -1.6021766208e-15 ] [ 2.08282960704e-15 3.84522388992e-15 1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.156719 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.229462393383516e-18 } }