{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0064072 -1.5953018 0.8825377 ] [ -3.0793106 1.1525361 -5.6707829 ] [ -2.0090966 -1.711821 2.3465951 ] [ 3.0535868 1.0543713 0.3035782 ] [ 0.571349 0.1352924 -1.424227 ] [ -0.425355 -0.9086318 1.144465 ] [ 4.8952337 1.8735547 2.4178339 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.816795328444789e-09 -2.555955247080158e-09 1.413981269914604e-09 ] [ -4.933599451501621e-09 1.846566394048011e-09 -9.085595784012425e-09 ] [ -3.218927601448769e-09 -2.742639585194477e-09 3.759659807703838e-09 ] [ 4.892385380543486e-09 1.689289046502503e-09 4.863858946245466e-10 ] [ 9.154020101174592e-10 2.167623202519219e-10 -2.281863202112122e-09 ] [ -6.814938365403839e-10 -1.455788626875421e-09 1.833635066323872e-09 ] [ 7.843028987492282e-09 3.001765538129957e-09 3.873796947557685e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.466235085572457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.196222729950088e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3004056 1.8761203 2.7855061 ] [ 1.7545807 4.1456504 2.495693 ] [ 1.6388744 3.1380893 4.6570059 ] [ 4.5885907 1.4344668 2.702117 ] [ 3.9264389 2.592251 4.6149392 ] [ 4.0500419 3.6685327 2.306248 ] [ 3.2768408 4.8160754 4.2083408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3004056e-10 1.8761203e-10 2.7855061e-10 ] [ 1.7545807e-10 4.1456504e-10 2.495693e-10 ] [ 1.6388744e-10 3.1380893e-10 4.6570059e-10 ] [ 4.588590700000001e-10 1.4344668e-10 2.702117e-10 ] [ 3.9264389e-10 2.592251e-10 4.614939200000001e-10 ] [ 4.0500419e-10 3.6685327e-10 2.306248e-10 ] [ 3.2768408e-10 4.816075400000001e-10 4.2083408e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.3e-05 1.71e-05 1.95e-05 ] [ 3.73e-05 1.29e-05 2.54e-05 ] [ -3.8e-06 -1.12e-05 -1e-05 ] [ 1.13e-05 -1.86e-05 -8.2e-06 ] [ 1.47e-05 4.18e-05 -1.1e-06 ] [ 1.88e-05 1e-06 -1.67e-05 ] [ -4.54e-05 -4.29e-05 -8.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.28718284864e-14 2.739722021568e-14 3.12424441056e-14 ] [ 5.976118795584e-14 2.066807840832e-14 4.069528616832e-14 ] [ -6.08827115904e-15 -1.794437815296e-14 -1.6021766208e-14 ] [ 1.810459581504e-14 -2.980048514688e-14 -1.313784829056e-14 ] [ 2.355199632576e-14 6.697098274944e-14 -1.76239428288e-15 ] [ 3.012092047104e-14 1.6021766208e-15 -2.675634956736e-14 ] [ -7.273881858432e-14 -6.873337703232e-14 -1.425937192512e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }