{ "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" [ [ 0.7145242 0.8187554 1.873184 ] [ 0.3169354 2.259423 0.2511792 ] [ 1.412151 2.902885 2.703929 ] [ 2.136626 0.3772665 0.2243012 ] [ 2.65148 2.117604 0.8383983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.145242000000001e-11 8.187554e-11 1.873184e-10 ] [ 3.169354e-11 2.259423e-10 2.511792e-11 ] [ 1.412151e-10 2.902885e-10 2.703929e-10 ] [ 2.136626e-10 3.772665e-11 2.243012e-11 ] [ 2.65148e-10 2.117604e-10 8.383983000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9758032 -5.9693945 6.3578055 ] [ -5.3018757 5.5094171 -1.8356798 ] [ -1.1642244 2.1146981 1.1209705 ] [ 3.3474409 -8.1385598 -4.1190317 ] [ 9.0944625 6.4838391 -1.5240645 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.574292256422427e-09 -9.564024387028112e-09 1.018632741561669e-08 ] [ -8.494541362912393e-09 8.82705934458004e-09 -2.941083283065793e-09 ] [ -1.865293130412669e-09 3.388119883784195e-09 1.795992742503297e-09 ] [ 5.36319159367593e-09 -1.303941034597171e-08 -6.599416344445297e-09 ] [ 1.457093531628923e-08 1.038825550463559e-08 -2.441820530608893e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.97824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.919125624444416e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0268951 0.6595811 2.163054 ] [ 0.4421015 2.2980794 0.258213 ] [ 1.0571253 3.1859222 2.5799838 ] [ 1.8355585 0.2044506 -0.2235865 ] [ 2.8700361 2.1279005 1.1133273 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0268951e-10 6.595811e-11 2.163054e-10 ] [ 4.421015e-11 2.2980794e-10 2.582130000000001e-11 ] [ 1.0571253e-10 3.1859222e-10 2.5799838e-10 ] [ 1.8355585e-10 2.044506e-11 -2.235865e-11 ] [ 2.8700361e-10 2.1279005e-10 1.1133273e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.38e-05 3.83e-05 -1.73e-05 ] [ -1.65e-05 -1.48e-05 2.53e-05 ] [ -6.3e-06 -1.8e-05 -5.3e-06 ] [ 2.7e-06 -7.4e-06 -6.4e-06 ] [ 3.39e-05 1.8e-06 3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.21100375492e-14 6.13633650822e-14 -2.77176557682e-14 ] [ -2.6435914461e-14 -2.37122141832e-14 4.053506884019999e-14 ] [ -1.00937127942e-14 -2.8839179412e-14 -8.4915361602e-15 ] [ 4.3258769118e-15 -1.18561070916e-14 -1.02539304576e-14 ] [ 5.431378789259999e-14 2.8839179412e-15 5.9280535458e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.118168 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.582415215248651e-18 } }