{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9806063 -2.1723978 -2.885011 ] [ -2.0118325 3.9741096 -1.2270624 ] [ 0.3537667 0.0230629 5.6173163 ] [ -5.2828473 0.2495137 -4.4601504 ] [ 0.1557025 3.2521642 -1.219402 ] [ 2.1956087 0.0684058 2.7998047 ] [ 2.6089956 -5.3948584 1.3745048 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.173281108869191e-09 -3.480564966237355e-09 -4.622297174950829e-09 ] [ -3.223310996465616e-09 6.367225489616839e-09 -1.965970689542738e-09 ] [ 5.667967359575673e-10 3.695083918784833e-11 8.999932847498758e-09 ] [ -8.464054435316405e-09 3.99765016709305e-10 -7.145948696131769e-09 ] [ 2.49462905300112e-10 5.210541448242736e-09 -1.953697375756762e-09 ] [ 3.517752927565081e-09 1.095981734871206e-10 4.485781633145959e-09 ] [ 4.180071754090069e-09 -8.643516001006496e-09 2.20219945573738e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.295239 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.052744054334837e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6681568 1.8870728 1.1716174 ] [ 0.4544228 2.6791031 1.675315 ] [ 1.7868347 1.8756928 3.5085802 ] [ 2.3053374 4.0426273 2.3799989 ] [ 4.0280053 1.12843 3.01546 ] [ 4.5300022 3.2263814 1.9228075 ] [ 3.6767408 3.2153617 4.185375 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.668156800000001e-10 1.8870728e-10 1.1716174e-10 ] [ 4.544228e-11 2.6791031e-10 1.675315e-10 ] [ 1.7868347e-10 1.8756928e-10 3.5085802e-10 ] [ 2.3053374e-10 4.042627300000001e-10 2.3799989e-10 ] [ 4.0280053e-10 1.12843e-10 3.01546e-10 ] [ 4.5300022e-10 3.2263814e-10 1.9228075e-10 ] [ 3.6767408e-10 3.2153617e-10 4.185375e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-07 1.49e-05 1.18e-05 ] [ -2.1e-06 8.4e-06 -1.12e-05 ] [ 6.4e-06 -7.3e-06 1.53e-05 ] [ -2.6e-06 -4.5e-06 2.7e-06 ] [ 9.9e-06 -9.2e-06 1e-07 ] [ 3.3e-06 -6.1e-06 -6.9e-06 ] [ -1.52e-05 3.9e-06 -1.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-16 2.387243164992e-14 1.890568412544e-14 ] [ -3.36457090368e-15 1.345828361472e-14 -1.794437815296e-14 ] [ 1.025393037312e-14 -1.169588933184e-14 2.451330229824e-14 ] [ -4.16565921408e-15 -7.2097947936e-15 4.32587687616e-15 ] [ 1.586154854592e-14 -1.474002491136e-14 1.6021766208e-16 ] [ 5.28718284864e-15 -9.77327738688e-15 -1.105501868352e-14 ] [ -2.435308463616e-14 6.24848882112e-15 -1.890568412544e-14 ] ] } "relaxed-potential-energy" { "source-value" -29.696935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.757973496641725e-18 } }