{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6401517 1.9927446 1.0472825 ] [ 1.2904627 -1.2420991 -1.880927 ] [ -0.0223648 -1.7852535 -1.3530374 ] [ -0.1313595 0.0441522 -0.0864884 ] [ -0.3856055 -1.2088739 1.1288341 ] [ 0.5185094 -0.4490175 0.2376381 ] [ 1.3705094 2.6483473 0.9066981 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.229989363955377e-09 3.192728835649676e-09 1.677931550697105e-09 ] [ 2.067549184988552e-09 -1.990062155132429e-09 -3.013577289659718e-09 ] [ -3.58323599840832e-11 -2.860291443466719e-09 -2.167804907208112e-09 ] [ -2.10461121553923e-10 7.07396231796948e-11 -1.385696935920456e-10 ] [ -6.178081220418869e-10 -1.936829516032452e-09 1.808591618682419e-09 ] [ 8.307436451893595e-10 -7.194053467570949e-10 3.807382111681553e-10 ] [ 2.195798137357359e-09 4.243120162776988e-09 1.452690509912195e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.201155 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.396799515481227e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5606337 3.8850472 3.5528426 ] [ 5.4589742 2.1131801 1.6614583 ] [ 3.2473483 1.366767 1.8755289 ] [ 5.5483402 2.5269132 3.9454712 ] [ 3.3221387 1.7763826 4.1608362 ] [ 3.6501553 3.713244 1.387161 ] [ 4.7725157 4.6305039 3.3381113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5606337e-10 3.8850472e-10 3.5528426e-10 ] [ 5.4589742e-10 2.1131801e-10 1.6614583e-10 ] [ 3.2473483e-10 1.366767e-10 1.8755289e-10 ] [ 5.548340200000001e-10 2.5269132e-10 3.9454712e-10 ] [ 3.3221387e-10 1.7763826e-10 4.1608362e-10 ] [ 3.6501553e-10 3.713244e-10 1.387161e-10 ] [ 4.772515699999999e-10 4.6305039e-10 3.3381113e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.3e-05 -3.24e-05 -3.58e-05 ] [ -1.41e-05 -1.79e-05 -1.22e-05 ] [ 1.53e-05 4.11e-05 2.85e-05 ] [ -1.38e-05 7.2e-06 -2.64e-05 ] [ 5.4e-06 9.8e-06 2.19e-05 ] [ 1.75e-05 1.31e-05 8.3e-06 ] [ -2.34e-05 -2.1e-05 1.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.082829624199999e-14 -5.19105229416e-14 -5.735792349719999e-14 ] [ -2.25906905394e-14 -2.86789617486e-14 -1.95465549348e-14 ] [ 2.45133025002e-14 6.58494596574e-14 4.5662034069e-14 ] [ -2.21100375492e-14 1.15356717648e-14 -4.22974631376e-14 ] [ 8.6517538236e-15 1.57013310132e-14 3.50876682846e-14 ] [ 2.8038091095e-14 2.09885139054e-14 1.32980660622e-14 ] [ -3.749093323559999e-14 -3.364570931399999e-14 2.515417315379999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }