{ "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" [ [ 0.5308739 0.2525778 2.81745 ] [ 0.4737551 1.568741 0.832487 ] [ 2.312512 2.941662 0.559243 ] [ 2.76942 1.516894 1.016982 ] [ 2.535548 1.814472 2.698768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308739e-11 2.525778e-11 2.81745e-10 ] [ 4.737551e-11 1.568741e-10 8.32487e-11 ] [ 2.312512e-10 2.941662e-10 5.592430000000001e-11 ] [ 2.76942e-10 1.516894e-10 1.016982e-10 ] [ 2.535548e-10 1.814472e-10 2.698768e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 99.9358957 73.5999328 26.3235421 ] [ -88.0777817 1119.8220381 -363.90143 ] [ -1738.5814756 -153.6686143 -105.9084077 ] [ 1876.6177069 -985.5231855 80.2446557 ] [ -149.8943453 -54.2301711 363.2416399 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.601149556692473e-07 1.179200916246111e-07 4.217496372926453e-08 ] [ -1.411161626516661e-07 1.794152688900427e-06 -5.830343634216877e-07 ] [ -2.785514593562286e-06 -2.462042611821926e-07 -1.696839747630947e-07 ] [ 3.006673016174487e-06 -1.578982207064441e-06 1.285661113066855e-07 ] [ -2.401572156297823e-07 -8.688631227840382e-08 5.819772631488325e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 310.89567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.981097739819519e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.168248 0.5597913 3.0634811 ] [ -0.4654564 1.8705072 0.6512071 ] [ 1.925845 2.9017197 -0.4239266 ] [ 4.0536599 1.929444 1.1453262 ] [ 2.9398125 0.8328847 3.4888422 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.68248e-11 5.597913e-11 3.0634811e-10 ] [ -4.654564e-11 1.8705072e-10 6.512071e-11 ] [ 1.925845e-10 2.9017197e-10 -4.239266e-11 ] [ 4.0536599e-10 1.929444e-10 1.1453262e-10 ] [ 2.9398125e-10 8.328847000000001e-11 3.4888422e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.41e-05 -8.6e-06 5.98e-05 ] [ 1.76e-05 4.13e-05 -3.57e-05 ] [ -5.83e-05 -2.44e-05 -5.72e-05 ] [ 4.45e-05 3.78e-05 5.92e-05 ] [ 1.03e-05 -4.61e-05 -2.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.259069035328e-14 -1.377871893888e-14 9.581016192383999e-14 ] [ 2.819830852608e-14 6.616989443904001e-14 -5.719770536256001e-14 ] [ -9.340689699264e-14 -3.909310954752e-14 -9.164450270976e-14 ] [ 7.129685962560001e-14 6.056227626623999e-14 9.484885595136001e-14 ] [ 1.650241919424e-14 -7.386034221888001e-14 -4.197702746496e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.190057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.953062433161938e-18 } }