{ "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" [ [ 0.17097 -0.8866965 -0.9274061 ] [ -1.2057157 -3.1646685 -2.2194126 ] [ -7.9458697 0.2094689 3.8598008 ] [ 4.4063511 4.2826396 -10.7187183 ] [ -2.0667545 1.8179 19.0393658 ] [ 8.8590429 -3.1525843 -2.539392 ] [ -2.2180242 0.8939408 -6.4942376 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.7392413911498e-10 -1.420644413749581e-09 -1.485868383649067e-09 ] [ -1.931769521786953e-09 -5.070357925055829e-09 -3.555891008925188e-09 ] [ -1.273068677014859e-08 3.356061771296826e-10 6.184082653654506e-09 ] [ 7.059752773620197e-09 6.861545098963106e-09 -1.71732800066882e-08 ] [ -3.311305768114353e-09 2.9125969029486e-09 3.050442701093871e-08 ] [ 1.41937515339836e-08 -5.050996902175246e-09 -4.068554526966527e-09 ] [ -3.553666546886542e-09 1.432251061939267e-09 -1.040491573836424e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5445112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.36898161935913e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0052796 1.3451945 0.0577896 ] [ 3.023785 0.9186007 2.3584625 ] [ 2.2467045 3.1854941 3.1673428 ] [ 5.1086642 2.1168913 1.972677 ] [ 4.3312409 3.2667319 5.3866009 ] [ 4.7398593 3.7741304 3.0130519 ] [ 2.5020965 3.7258639 0.789035 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0052796e-10 1.3451945e-10 5.778960000000001e-12 ] [ 3.023785e-10 9.186007000000001e-11 2.3584625e-10 ] [ 2.2467045e-10 3.1854941e-10 3.1673428e-10 ] [ 5.1086642e-10 2.1168913e-10 1.972677e-10 ] [ 4.3312409e-10 3.2667319e-10 5.386600900000001e-10 ] [ 4.7398593e-10 3.7741304e-10 3.0130519e-10 ] [ 2.5020965e-10 3.7258639e-10 7.890350000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.79e-05 2.12e-05 -3.07e-05 ] [ 2.84e-05 -2.19e-05 5.66e-05 ] [ 6.96e-05 7.4e-05 6.6e-06 ] [ -6.5e-06 5.06e-05 2.54e-05 ] [ -4.37e-05 -1.88e-05 -4.76e-05 ] [ -7.11e-05 -9.54e-05 -8.9e-05 ] [ -4.7e-06 -9.7e-06 7.88e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.470072808859999e-14 3.39661446408e-14 -4.91868226638e-14 ] [ 4.550181640559999e-14 -3.50876682846e-14 9.06831974844e-14 ] [ 1.115114937264e-13 1.18561070916e-13 1.05743657844e-14 ] [ -1.0414148121e-14 8.107013768039999e-14 4.06952865036e-14 ] [ -7.001511890579999e-14 -3.012092071919999e-14 -7.62636077784e-14 ] [ -1.139147586774e-13 -1.528476508836e-13 -1.42593720426e-13 ] [ -7.530230179799999e-15 -1.55411133498e-14 1.262515187592e-13 ] ] } "relaxed-potential-energy" { "source-value" -17.385234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.785421569142236e-18 } }