{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.6327062 5.4102813 7.5367466 ] [ -6.7162355 -5.8052182 -13.152844 ] [ 3.5840934 -3.5800179 -2.3368776 ] [ 11.773207 5.3465828 0.7593028 ] [ -3.4881935 3.4599306 -9.034957 ] [ -5.3505254 -4.098322 7.3474253 ] [ 12.8303601 -0.7332366 8.881204 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.023982653107521e-08 8.668226210811432e-09 1.207519919941389e-08 ] [ -1.0760595497887e-08 -9.300984878682657e-09 -2.107317915382955e-08 ] [ 5.742350652243583e-09 -5.735820981425512e-09 -3.744090656391215e-09 ] [ 1.886275700723891e-08 8.566169963331403e-09 1.216537194267978e-09 ] [ -5.588702074526524e-09 5.543419916910516e-09 -1.447559687533331e-08 ] [ -8.572486704876569e-09 -6.566235692910298e-09 1.177187303873443e-08 ] [ 2.055650298866515e-08 -1.174774538034881e-09 1.422925741335544e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -36.949354 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.919939113246297e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5551695 2.1979046 2.9374044 ] [ 1.7802411 4.2397704 2.6290662 ] [ 1.6598422 3.2864833 4.6339277 ] [ 4.7532619 2.2711262 3.1042236 ] [ 3.4972698 2.0697936 4.9275899 ] [ 3.69208 3.6122453 1.6836573 ] [ 3.5979085 3.9938626 3.853981 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5551695e-10 2.1979046e-10 2.9374044e-10 ] [ 1.7802411e-10 4.239770400000001e-10 2.6290662e-10 ] [ 1.6598422e-10 3.2864833e-10 4.6339277e-10 ] [ 4.7532619e-10 2.2711262e-10 3.1042236e-10 ] [ 3.4972698e-10 2.0697936e-10 4.9275899e-10 ] [ 3.69208e-10 3.6122453e-10 1.6836573e-10 ] [ 3.5979085e-10 3.9938626e-10 3.853981e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0001163 -0.0001315 -8.87e-05 ] [ -4.75e-05 -4.3e-06 4.47e-05 ] [ -3.3e-05 3.63e-05 -7.27e-05 ] [ 7.59e-05 -4.76e-05 -2.29e-05 ] [ 3.8e-05 -6.4e-06 4e-06 ] [ -2.2e-06 -2.8e-05 2.59e-05 ] [ 8.51e-05 0.0001815 0.0001098 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.8633314099904e-13 -2.106862256352e-13 -1.4211306626496e-13 ] [ -7.610338948800001e-14 -6.889359469440001e-15 7.161729494976001e-14 ] [ -5.28718284864e-14 5.815901133504e-14 -1.1647824033216e-13 ] [ 1.2160520551872e-13 -7.626360715008e-14 -3.668984461632e-14 ] [ 6.08827115904e-14 -1.025393037312e-14 6.4087064832e-15 ] [ -3.52478856576e-15 -4.48609453824e-14 4.149637447872e-14 ] [ 1.3634523043008e-13 2.907950566752e-13 1.7591899296384e-13 ] ] } "relaxed-potential-energy" { "source-value" -52.328123 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.383889528094676e-18 } }