{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.599025 3.051266 5.123232 ] [ 1.56583 2.880417 3.388537 ] [ 2.27514 4.963397 2.856014 ] [ 3.509207 1.897473 3.301843 ] [ 3.336514 3.219201 1.422465 ] [ 4.208969 3.943636 3.692529 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.599025e-10 3.051266e-10 5.123232e-10 ] [ 1.56583e-10 2.880417e-10 3.388537e-10 ] [ 2.27514e-10 4.963397e-10 2.856014e-10 ] [ 3.509207e-10 1.897473e-10 3.301843e-10 ] [ 3.336514e-10 3.219201e-10 1.422465e-10 ] [ 4.208969e-10 3.943636e-10 3.692529e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.0373453 2.8395389 27.3781892 ] [ -28.5239634 -3.0938137 -16.541616 ] [ -1.9877356 7.6117384 -2.6127839 ] [ 9.8908877 -20.7916592 -3.8516995 ] [ 0.6176673 1.385129 -7.2355714 ] [ 13.9657987 12.0490664 2.8634816 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.67289357104972e-09 4.549442876914062e-09 4.386469501747115e-08 ] [ -4.570042766855119e-08 -4.956836020089085e-09 -2.650259064380054e-08 ] [ -3.18470353288997e-09 1.219534940860055e-08 -4.186141314271392e-09 ] [ 1.5846949162458e-08 -3.331191055233113e-08 -6.171102940089483e-09 ] [ 9.89612115645868e-10 2.219221318875786e-09 -1.159266343071867e-08 ] [ 2.237567635228757e-08 1.930473264759449e-08 4.587803311408935e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.5880318 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.350837346008961e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5947573 3.3481261 5.11717 ] [ 1.2290714 2.628441 3.0083945 ] [ 2.232462 5.0370531 3.1559967 ] [ 3.5990986 1.614743 3.4388871 ] [ 3.236801 3.3036801 1.4777023 ] [ 4.6024948 4.0233468 3.5864694 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5947573e-10 3.3481261e-10 5.11717e-10 ] [ 1.2290714e-10 2.628441e-10 3.0083945e-10 ] [ 2.232462e-10 5.0370531e-10 3.155996700000001e-10 ] [ 3.5990986e-10 1.614743e-10 3.4388871e-10 ] [ 3.236801e-10 3.3036801e-10 1.4777023e-10 ] [ 4.6024948e-10 4.0233468e-10 3.5864694e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.5e-06 -1.68e-05 6.05e-05 ] [ -7e-05 2.5e-05 1.81e-05 ] [ -4.25e-05 4.6e-05 -2.48e-05 ] [ 3.95e-05 -2.88e-05 -4.88e-05 ] [ 2.52e-05 -5.54e-05 -4.84e-05 ] [ 5.33e-05 3.01e-05 4.34e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.811971486999999e-15 -2.691656745119999e-14 9.693168635699998e-14 ] [ -1.1215236438e-13 4.005441585e-14 2.899939707539999e-14 ] [ -6.8092506945e-14 7.370012516399999e-14 -3.97339805232e-14 ] [ 6.328597704299999e-14 -4.614268705919999e-14 -7.818621973919999e-14 ] [ 4.037485117679999e-14 -8.876058552359998e-14 -7.754534908559998e-14 ] [ 8.53960145922e-14 4.82255166834e-14 6.953446591559999e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.315328 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.614003729764595e-18 } }