{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.1726642 -4.8408964 -0.570875 ] [ 2.6286645 -2.0344717 -1.5492207 ] [ 2.3938731 -6.9913509 2.4500209 ] [ 4.2565884 4.3017371 -0.2383435 ] [ -3.2655495 1.0062233 -8.4290021 ] [ 3.7881911 1.3545859 5.2291401 ] [ -2.6291035 7.2041726 3.1082804 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.149187489008914e-08 -7.755971035794885e-09 -9.146425783992e-10 ] [ 4.211584805826922e-09 -3.259582993419232e-09 -2.482125185999411e-09 ] [ 3.835407513982021e-09 -1.120137895978904e-08 3.925366206451375e-09 ] [ 6.819806418848479e-09 6.892142610447992e-09 -3.818683834196449e-10 ] [ -5.23198706296513e-09 1.612147446564225e-09 -1.35047501012941e-08 ] [ 6.069351215542635e-09 2.170285859845327e-09 8.378006015107775e-09 ] [ -4.212288161363452e-09 1.154235691192795e-08 4.980014187770873e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.6666163 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.54876266381042e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4176169 2.4446736 2.711166 ] [ 5.5125296 2.0971123 1.7099156 ] [ 4.3027817 1.4081038 3.5192118 ] [ 5.0999065 4.4714485 2.3211678 ] [ 3.5528097 3.1746621 0.8699109 ] [ 4.9855057 3.3374545 4.5307828 ] [ 3.0257589 4.4150001 3.690828 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4176169e-10 2.4446736e-10 2.711166e-10 ] [ 5.5125296e-10 2.0971123e-10 1.7099156e-10 ] [ 4.3027817e-10 1.4081038e-10 3.5192118e-10 ] [ 5.0999065e-10 4.4714485e-10 2.3211678e-10 ] [ 3.5528097e-10 3.1746621e-10 8.699109000000001e-11 ] [ 4.985505700000001e-10 3.3374545e-10 4.5307828e-10 ] [ 3.0257589e-10 4.415000100000001e-10 3.690828e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-05 9.9e-06 1.27e-05 ] [ 6.8e-06 -4.5e-06 -1.25e-05 ] [ 1.62e-05 1.09e-05 -1.4e-05 ] [ -1.36e-05 -3.67e-05 2.18e-05 ] [ 1.5e-06 4.4e-06 1.97e-05 ] [ -3.09e-05 1.01e-05 -1.97e-05 ] [ 8e-06 6.1e-06 -8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.92261194496e-14 1.586154854592e-14 2.034764308416e-14 ] [ 1.089480102144e-14 -7.2097947936e-15 -2.002720776e-14 ] [ 2.595526125696e-14 1.746372516672e-14 -2.24304726912e-14 ] [ -2.178960204288e-14 -5.879988198335999e-14 3.492745033344e-14 ] [ 2.4032649312e-15 7.04957713152e-15 3.156287942976e-14 ] [ -4.950725758272e-14 1.618198387008e-14 -3.156287942976e-14 ] [ 1.28174129664e-14 9.77327738688e-15 -1.28174129664e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }