{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.6079 1.726733 2.75301 ] [ 2.002918 3.986459 1.396167 ] [ 4.133267 4.619556 1.499098 ] [ 3.466505 3.469363 3.287809 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6079e-10 1.726733e-10 2.75301e-10 ] [ 2.002918e-10 3.986459e-10 1.396167e-10 ] [ 4.133267e-10 4.619556e-10 1.499098e-10 ] [ 3.466505e-10 3.469363e-10 3.287809000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5062378 2.7325603 -0.6117277 ] [ -0.8588766 -2.200227 1.7851115 ] [ 1.6154988 0.9714488 -0.8920753 ] [ -2.26286 -1.5037821 -0.2813085 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.413259008407565e-09 4.378044263656029e-09 -9.800958273105616e-10 ] [ -1.376072020009364e-09 -3.525152288895917e-09 2.860063934384691e-09 ] [ 2.588314429615039e-09 1.556432568487339e-09 -1.42926220142854e-09 ] [ -3.62550141801324e-09 -2.409324543247451e-09 -4.50705905645589e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.194855 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.953831173601807e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4586072 2.0786354 2.1483874 ] [ 1.7115624 4.2395344 1.7926766 ] [ 3.9315639 3.7062738 1.4167523 ] [ 3.1088566 3.7776673 3.5782678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4586072e-10 2.0786354e-10 2.1483874e-10 ] [ 1.7115624e-10 4.2395344e-10 1.7926766e-10 ] [ 3.9315639e-10 3.7062738e-10 1.4167523e-10 ] [ 3.108856600000001e-10 3.7776673e-10 3.5782678e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.06e-05 6.3e-06 -5.1e-06 ] [ -6.6e-06 5.4e-06 -8.6e-06 ] [ -1.17e-05 -1.05e-05 8e-06 ] [ 7.7e-06 -1.2e-06 5.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.69830723204e-14 1.00937127942e-14 -8.1711008334e-15 ] [ -1.05743657844e-14 8.6517538236e-15 -1.37787190524e-14 ] [ -1.87454666178e-14 -1.6822854657e-14 1.2817413072e-14 ] [ 1.23367600818e-14 -1.9226119608e-15 9.1324068138e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.70586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.516356190887524e-18 } }