{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7243672 -16.8361861 -15.26667 ] [ -35.1359358 -48.3296279 57.1622361 ] [ 15.8459414 68.7053525 -43.3697855 ] [ 19.9566787 -2.3334509 -1.4738065 ] [ 1.6471849 15.6692303 6.6582334 ] [ -35.9410537 -16.450551 50.8422688 ] [ 38.3515517 -0.4247669 -54.5524762 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.569270738276003e-09 -2.697454397509558e-08 -2.445990195298878e-08 ] [ -5.629397535248409e-08 -7.743260055129447e-08 9.158399902661128e-08 ] [ 2.538799705481324e-08 1.100781104062335e-07 -6.9486056949692e-08 ] [ 3.197412430538549e-08 -3.73860050856627e-09 -2.361298337337321e-09 ] [ 2.639081158657627e-09 2.510487465942481e-08 1.066766597719838e-08 ] [ -5.758391643947924e-08 -2.635668842862533e-08 8.14582950909072e-08 ] [ 6.144596001138298e-08 -6.805516020766146e-10 -8.74027026944811e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.6971668 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.52569089296055e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.9017402 1.1050413 1.533015 ] [ 2.0224176 2.1806977 3.8352288 ] [ 2.5801753 3.776839 1.7890083 ] [ 5.0199366 2.8518614 2.0697699 ] [ 4.5560231 2.5676472 4.6486247 ] [ 3.2976099 0.2148126 5.0821939 ] [ 4.9257814 0.3184654 3.0266693 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9017402e-10 1.1050413e-10 1.533015e-10 ] [ 2.0224176e-10 2.1806977e-10 3.8352288e-10 ] [ 2.5801753e-10 3.776839e-10 1.7890083e-10 ] [ 5.0199366e-10 2.8518614e-10 2.0697699e-10 ] [ 4.5560231e-10 2.5676472e-10 4.6486247e-10 ] [ 3.2976099e-10 2.148126e-11 5.0821939e-10 ] [ 4.925781400000001e-10 3.184654e-11 3.0266693e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.49e-05 -2.8e-06 -1.4e-05 ] [ 1.72e-05 4.33e-05 -3.29e-05 ] [ -4.77e-05 -9.2e-06 -4.01e-05 ] [ 1.11e-05 1.92e-05 3.06e-05 ] [ 2.86e-05 -1.88e-05 5.7e-05 ] [ 3.43e-05 -1.6e-06 -3.78e-05 ] [ 1.14e-05 -3.02e-05 3.72e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.795949720659999e-14 -4.486094575199999e-15 -2.243047287599999e-14 ] [ 2.75574381048e-14 6.93742482522e-14 -5.271161125859999e-14 ] [ -7.64238254418e-14 -1.47400250328e-14 -6.42472830234e-14 ] [ 1.77841606374e-14 3.076179137279999e-14 4.90266050004e-14 ] [ 4.58222517324e-14 -3.012092071919999e-14 9.132406813799999e-14 ] [ 5.49546585462e-14 -2.5634826144e-15 -6.056227676519999e-14 ] [ 1.82648136276e-14 -4.838573434679999e-14 5.96009707848e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.718424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.960328136210481e-18 } }