{ "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" [ [ 0.6660422 0.1321237 2.521111 ] [ 1.154832 2.450071 0.6217319 ] [ 0.2052378 1.707228 1.69737 ] [ 2.767871 1.123615 2.427941 ] [ 1.781428 1.004966 1.555643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.660422e-11 1.321237e-11 2.521111e-10 ] [ 1.154832e-10 2.450071e-10 6.217319e-11 ] [ 2.052378e-11 1.707228e-10 1.69737e-10 ] [ 2.767871e-10 1.123615e-10 2.427941e-10 ] [ 1.781428e-10 1.004966e-10 1.555643e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -32.3247334 -57.9829784 41.9072607 ] [ 5.0863271 61.0969525 -59.523681 ] [ -83.5323147 25.9037602 11.4198058 ] [ 115.8643764 5.159205 81.825362 ] [ -5.0936553 -34.1769394 -75.6287475 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.17899321270729e-08 -9.28989723968314e-08 6.714283333531066e-08 ] [ 8.149194365361464e-09 9.788810889762812e-08 -9.536745008215717e-08 ] [ -1.338335216936482e-07 4.150239898324953e-08 1.829654586683624e-08 ] [ 1.856351950516513e-07 8.265957632914464e-09 1.310986819848967e-07 ] [ -8.16093543607401e-09 -5.475749327717838e-08 -1.211706111048865e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 93.605556 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.499726334001852e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.2262945 -0.0271884 2.513596 ] [ 1.0963519 2.6364813 0.505325 ] [ -0.9015082 1.9930421 1.7454338 ] [ 3.9297831 1.1989886 2.7852541 ] [ 2.2244896 0.6166801 1.2741881 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.262945e-11 -2.71884e-12 2.513596e-10 ] [ 1.0963519e-10 2.6364813e-10 5.053250000000001e-11 ] [ -9.015082e-11 1.9930421e-10 1.7454338e-10 ] [ 3.9297831e-10 1.1989886e-10 2.7852541e-10 ] [ 2.2244896e-10 6.166801e-11 1.2741881e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.18e-05 7e-07 2.11e-05 ] [ -1.46e-05 3.52e-05 -3.83e-05 ] [ -1.94e-05 -4.2e-06 6.4e-06 ] [ -1.96e-05 -3.15e-05 1.08e-05 ] [ 3.18e-05 -2e-07 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.492745033344e-14 1.12152363456e-15 3.380592669888e-14 ] [ -2.339177866368e-14 5.639661705216e-14 -6.136336457664001e-14 ] [ -3.108222644352e-14 -6.72914180736e-15 1.025393037312e-14 ] [ -3.140266176767999e-14 -5.04685635552e-14 1.730350750464e-14 ] [ 5.094921654144e-14 -3.2043532416e-16 0.0 ] ] } "relaxed-potential-energy" { "source-value" -9.7587726 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.563527730742363e-18 } }