{ "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" [ [ 2.648062 2.256008 1.840542 ] [ 2.082623 2.792532 4.589039 ] [ 1.893054 0.6019814 4.219017 ] [ 3.79314 0.2675402 2.698761 ] [ 5.137376 2.400602 1.294264 ] [ 4.215429 1.396012 4.868853 ] [ 4.085322 3.344134 3.585876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.648062e-10 2.256008e-10 1.840542e-10 ] [ 2.082623e-10 2.792532e-10 4.589039e-10 ] [ 1.893054e-10 6.019814000000001e-11 4.219017e-10 ] [ 3.79314e-10 2.675402e-11 2.698761000000001e-10 ] [ 5.137376e-10 2.400602e-10 1.294264e-10 ] [ 4.215429000000001e-10 1.396012e-10 4.868853e-10 ] [ 4.085322e-10 3.344134e-10 3.585876e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0509675 -0.3715125 0.6570733 ] [ -1.8103576 1.4442699 0.087662 ] [ -0.5433653 -1.1389177 -0.6299115 ] [ 0.1109674 1.220515 -0.3643541 ] [ -1.7143214 -0.438891 1.6074437 ] [ 1.7639819 -1.0400631 0.309768 ] [ 1.1421275 0.3245993 -1.6676814 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.683835557720624e-09 -5.9522864183496e-10 1.052747479411905e-09 ] [ -2.900512622007598e-09 2.313975467905154e-09 1.404500069325696e-10 ] [ -8.705671802139784e-10 -1.824747311955308e-09 -1.009229478473059e-09 ] [ 1.777893739509619e-10 1.955480598335712e-09 -5.837596207126253e-10 ] [ -2.746645667617125e-09 -7.031808992795327e-10 2.575408715392249e-09 ] [ 2.826210559694364e-09 -1.666364782976773e-09 4.963030474719744e-10 ] [ 1.829889978472752e-09 5.200654095880454e-10 -2.671920150023013e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.569971 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.0139313660334e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0730337 2.2048771 1.8712217 ] [ 2.1491834 3.2104239 4.0369351 ] [ 2.164386 0.7298369 3.8705501 ] [ 4.3056503 0.191071 2.7277142 ] [ 4.3538308 2.2793618 1.8065801 ] [ 4.3818368 1.1966012 4.8934381 ] [ 4.4270849 3.2466377 3.8899128 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0730337e-10 2.2048771e-10 1.8712217e-10 ] [ 2.1491834e-10 3.2104239e-10 4.0369351e-10 ] [ 2.164386e-10 7.298369e-11 3.8705501e-10 ] [ 4.3056503e-10 1.91071e-11 2.7277142e-10 ] [ 4.3538308e-10 2.2793618e-10 1.8065801e-10 ] [ 4.3818368e-10 1.1966012e-10 4.8934381e-10 ] [ 4.4270849e-10 3.2466377e-10 3.8899128e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.58e-05 8.6e-06 8.1e-06 ] [ 3.8e-06 1.82e-05 2e-06 ] [ -2.55e-05 -2.6e-05 -1.12e-05 ] [ 1.71e-05 1.9e-06 1.84e-05 ] [ 1.11e-05 1.9e-06 -2e-06 ] [ 1e-05 -2.3e-06 -5.9e-06 ] [ -7e-07 -2.3e-06 -9.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.531439060864e-14 1.377871893888e-14 1.297763062848e-14 ] [ 6.08827115904e-15 2.915961449856e-14 3.2043532416e-15 ] [ -4.08555038304e-14 -4.16565921408e-14 -1.794437815296e-14 ] [ 2.739722021568e-14 3.04413557952e-15 2.948004982272e-14 ] [ 1.778416049088e-14 3.04413557952e-15 -3.2043532416e-15 ] [ 1.6021766208e-14 -3.68500622784e-15 -9.45284206272e-15 ] [ -1.12152363456e-15 -3.68500622784e-15 -1.506046023552e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }