{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5385973 -5.9798422 -8.6833279 ] [ -11.627615 12.1644495 1.7045698 ] [ -5.1943513 -8.9104745 3.7936693 ] [ -0.4050407 1.1157308 2.5776476 ] [ 12.5772163 -6.3499956 -1.9804874 ] [ 4.1958763 6.4685079 -3.6717967 ] [ 4.9925116 1.4916241 6.2597253 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.271634485286004e-09 -9.580763368913238e-09 -1.391222495212036e-08 ] [ -1.862949290866339e-08 1.948959659380225e-08 2.731021882081732e-09 ] [ -8.322268213082088e-09 -1.427615392413457e-08 6.078128259506701e-09 ] [ -6.489467400124665e-10 1.787597802866481e-09 4.12984672138123e-09 ] [ 2.015092191060468e-08 -1.017381449250287e-08 -3.173090610068978e-09 ] [ 6.722534911628808e-09 1.03636921288401e-08 -5.882866829070591e-09 ] [ 7.998885364592801e-09 2.389845260041841e-09 1.002918552829027e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.6507221 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.546216132245788e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8507919 0.9329033 1.4199348 ] [ 2.0152991 3.0671058 2.9079552 ] [ 2.7444286 -0.21033 3.3359074 ] [ 2.3528625 1.6825846 4.8349637 ] [ 4.9869338 0.7179426 3.0307584 ] [ 4.0564642 2.3196018 1.5098672 ] [ 4.725563 1.8435343 5.1301542 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8507919e-10 9.329033e-11 1.4199348e-10 ] [ 2.0152991e-10 3.0671058e-10 2.9079552e-10 ] [ 2.7444286e-10 -2.1033e-11 3.3359074e-10 ] [ 2.3528625e-10 1.6825846e-10 4.834963700000001e-10 ] [ 4.9869338e-10 7.179426e-11 3.0307584e-10 ] [ 4.0564642e-10 2.3196018e-10 1.5098672e-10 ] [ 4.725563e-10 1.8435343e-10 5.1301542e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-07 8.7e-06 2.63e-05 ] [ -5.1e-06 6e-07 -1.53e-05 ] [ 5.15e-05 2.14e-05 8.9e-06 ] [ 4.97e-05 8.2e-06 -2.3e-05 ] [ -3.04e-05 1.7e-06 3.11e-05 ] [ -1.45e-05 6.2e-06 -1.75e-05 ] [ -5.06e-05 -4.68e-05 -1.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-16 1.393893660096e-14 4.213724512704e-14 ] [ -8.17110076608e-15 9.6130597248e-16 -2.451330229824e-14 ] [ 8.25120959712e-14 3.428657968511999e-14 1.425937192512e-14 ] [ 7.962817805376001e-14 1.313784829056e-14 -3.68500622784e-14 ] [ -4.870616927232e-14 2.72370025536e-15 4.982769290688e-14 ] [ -2.32315610016e-14 9.93349504896e-15 -2.8038090864e-14 ] [ -8.107013701248e-14 -7.498186585344001e-14 -1.68228545184e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }