{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.4884297 -17.2639795 -10.2429352 ] [ -10.3515909 33.3052257 -0.8996921 ] [ -0.4751244 -29.9754296 11.932727 ] [ 0.5012246 -0.5824477 0.2607634 ] [ 8.7502315 -13.1551951 -19.5323303 ] [ 13.9794249 18.2556062 -6.4010989 ] [ -0.915736 9.4162201 24.8825661 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.840649362669163e-08 -2.7659944564755e-08 -1.641099144101612e-08 ] [ -1.658507706470703e-08 5.336085440663629e-08 -1.441465660414391e-09 ] [ -7.612332119232696e-10 -4.802593289923196e-08 1.911833637930091e-08 ] [ 8.030503425059964e-10 -9.331840954670417e-10 4.177890264823955e-10 ] [ 1.401941645139077e-08 -2.107694620493129e-08 -3.129424321423021e-08 ] [ 2.239750793153778e-08 2.924870569314552e-08 -1.02556910895031e-08 ] [ -1.467170822112624e-09 1.508644782482114e-08 3.98662659993805e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.922112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.910132927433101e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5584037 0.5610591 1.1653468 ] [ 1.7336055 2.6027966 2.791737 ] [ 2.4789469 0.1002728 3.806537 ] [ 2.4316399 2.397218 5.2861902 ] [ 4.9084553 0.7255341 2.5597354 ] [ 3.9555002 2.8902708 1.4370656 ] [ 4.6657914 1.076191 5.1229289 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5584037e-10 5.610591e-11 1.1653468e-10 ] [ 1.7336055e-10 2.6027966e-10 2.791737e-10 ] [ 2.4789469e-10 1.002728e-11 3.806537e-10 ] [ 2.4316399e-10 2.397218e-10 5.286190200000001e-10 ] [ 4.908455300000001e-10 7.255341e-11 2.5597354e-10 ] [ 3.9555002e-10 2.8902708e-10 1.4370656e-10 ] [ 4.6657914e-10 1.076191e-10 5.1229289e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.92e-05 -1.63e-05 -2.21e-05 ] [ 2.8e-06 -5.3e-06 1.43e-05 ] [ 1.2e-05 1.02e-05 -1e-06 ] [ 5.2e-06 7e-07 -1.7e-06 ] [ 4.7e-06 4.2e-06 1.37e-05 ] [ 8e-06 6.6e-06 7e-07 ] [ -1.35e-05 -1e-07 -4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.076179137279999e-14 -2.61154791342e-14 -3.54081036114e-14 ] [ 4.486094575199999e-15 -8.4915361602e-15 2.29111258662e-14 ] [ 1.9226119608e-14 1.63422016668e-14 -1.602176634e-15 ] [ 8.331318496799998e-15 1.1215236438e-15 -2.7237002778e-15 ] [ 7.530230179799999e-15 6.729141862799999e-15 2.19498198858e-14 ] [ 1.2817413072e-14 1.05743657844e-14 1.1215236438e-15 ] [ -2.162938455899999e-14 -1.602176634e-16 -6.408706535999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.67255 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.95297831111967e-18 } }