{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2011731 -0.804842 -0.8353725 ] [ 1.370437 -1.4743886 -1.3543472 ] [ -5.6817016 2.1515242 2.351332 ] [ 7.8920719 -17.4991622 -7.9139685 ] [ -0.0968374 -4.2183427 10.3194217 ] [ -1.5867925 22.4369992 1.7725464 ] [ -2.0983506 -0.591788 -4.339612 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.223148402093453e-10 -1.289499046461828e-09 -1.338414300186165e-09 ] [ 2.195682139769058e-09 -2.362230964355972e-09 -2.169903438163325e-09 ] [ -9.103089544880414e-09 3.447121800725543e-09 3.767249189176488e-09 ] [ 1.264449319202798e-08 -2.803674879141603e-08 -1.267957541291203e-08 ] [ -1.551506195773116e-10 -6.758530108144471e-09 1.653353632413255e-08 ] [ -2.542321866506445e-09 3.594803585531669e-08 2.839932424760817e-09 ] [ -3.36192830125988e-09 -9.48148905881592e-10 -6.952824947026007e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1660619 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.468565020197764e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9805302 1.4181196 0.1772541 ] [ 2.7007969 0.8481257 2.3817977 ] [ 2.3204922 3.056698 3.4578277 ] [ 4.896587 2.0132586 2.3465545 ] [ 4.5582184 2.9449947 4.718722 ] [ 4.4019099 4.6340784 2.770367 ] [ 3.0990954 3.4176318 0.8924368 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9805302e-10 1.4181196e-10 1.772541e-11 ] [ 2.7007969e-10 8.481257e-11 2.3817977e-10 ] [ 2.3204922e-10 3.056698e-10 3.457827700000001e-10 ] [ 4.896587e-10 2.0132586e-10 2.3465545e-10 ] [ 4.558218400000001e-10 2.9449947e-10 4.718722e-10 ] [ 4.4019099e-10 4.6340784e-10 2.770367e-10 ] [ 3.0990954e-10 3.4176318e-10 8.924368000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.07e-05 9.2e-06 4e-06 ] [ -1.7e-05 0.0001141 -3.71e-05 ] [ 3.88e-05 -5.4e-06 -3.41e-05 ] [ -1.26e-05 -6.43e-05 1.71e-05 ] [ 1.59e-05 4.8e-06 -3.4e-05 ] [ -2.8e-05 3.6e-06 -8.9e-06 ] [ -7.78e-05 -6.19e-05 9.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.292956543638e-13 1.47400250328e-14 6.408706535999999e-15 ] [ -2.723700277799999e-14 1.828083539394e-13 -5.94407531214e-14 ] [ 6.21644533992e-14 -8.6517538236e-15 -5.46342232194e-14 ] [ -2.01874255884e-14 -1.030199575662e-13 2.73972204414e-14 ] [ 2.54746084806e-14 7.690447843199998e-15 -5.447400555599999e-14 ] [ -4.486094575199999e-14 5.767835882399999e-15 -1.42593720426e-14 ] [ -1.246493421252e-13 -9.917473364459999e-14 1.488422092986e-13 ] ] } "relaxed-potential-energy" { "source-value" -16.728527 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.680205508063811e-18 } }