{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.0434143e-10 1.7799378e-10 -1.0960754e-10 ] [ 2.393592e-11 -3.24667e-12 4.4268047e-10 ] [ -1.18573e-11 5.183748800000001e-10 2.6442281e-10 ] [ 4.4666244e-10 -2.3210475e-10 1.6534629e-10 ] [ 7.1349059e-10 2.4578058e-10 9.933103000000001e-11 ] [ 5.3455695e-10 2.22943e-11 6.455312400000001e-10 ] [ 4.855290700000001e-10 5.4963534e-10 4.97082e-10 ] ] "source-value" [ [ 2.0434143 1.7799378 -1.0960754 ] [ 0.2393592 -0.0324667 4.4268047 ] [ -0.118573 5.1837488 2.6442281 ] [ 4.4666244 -2.3210475 1.6534629 ] [ 7.1349059 2.4578058 0.9933103 ] [ 5.3455695 0.222943 6.4553124 ] [ 4.8552907 5.4963534 4.97082 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 0.0 1.6021766208e-16 -9.6130597248e-16 ] [ 0.0 0.0 0.0 ] [ -3.2043532416e-16 4.8065298624e-16 4.8065298624e-16 ] [ 3.2043532416e-16 -6.408706483200001e-16 3.2043532416e-16 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] "source-value" [ [ -0.0 1e-07 -6e-07 ] [ 0.0 0.0 0.0 ] [ -2e-07 3e-07 3e-07 ] [ 2e-07 -4e-07 2e-07 ] [ 0.0 -0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ -0.0 0.0 0.0 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 7.798142407283949e-32 "source-value" 4.8672177e-13 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -9.902432208853592e-09 -8.736310225659342e-10 -2.862846314827965e-08 ] [ -2.413667351302336e-08 -1.322807999392554e-08 1.233826089921837e-08 ] [ -2.214466200599211e-08 2.117721921640146e-08 -6.731847883672531e-10 ] [ 6.018789885961091e-09 -2.913171403466773e-08 -9.705601606635072e-09 ] [ 2.748653787728337e-08 7.257237165953832e-09 -1.314107443340364e-08 ] [ 1.235768472726297e-08 -9.622983606789235e-09 2.592670165760593e-08 ] [ 1.032075523736162e-08 2.442195227559314e-08 1.388336158007899e-08 ] ] "source-value" [ [ -6.1806121 -0.5452776 -17.8684814 ] [ -15.0649268 -8.2563182 7.7009368 ] [ -13.821611 13.2177807 -0.4201689 ] [ 3.7566332 -18.1825859 -6.0577601 ] [ 17.1557477 4.5296112 -8.2020136 ] [ 7.7130602 -6.006194 16.1821745 ] [ 6.4417088 15.2429838 8.6653128 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.389589700996013e-17 "source-value" 86.731368 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] "source-value" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] } "instance-id" 1 }