{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8760834 0.5811476 0.1887226 ] [ 0.0667642 0.1957144 2.535937 ] [ 2.950388 1.045755 1.267551 ] [ 1.713434 2.554048 0.6359242 ] [ 2.757437 2.623078 2.535254 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.760833999999999e-11 5.811476e-11 1.887226e-11 ] [ 6.67642e-12 1.957144e-11 2.535937e-10 ] [ 2.950388e-10 1.045755e-10 1.267551e-10 ] [ 1.713434e-10 2.554048e-10 6.359242000000001e-11 ] [ 2.757437e-10 2.623078e-10 2.535254e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4472696 -2.584595 1.3258268 ] [ 0.4060768 0.115136 -1.9577602 ] [ 6.7413233 -10.9305833 -1.1023548 ] [ -5.8323216 8.2977327 -5.4729118 ] [ 1.1321912 5.1023097 7.2071999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.920958137914568e-09 -4.140977683236576e-09 2.124208702190077e-09 ] [ 6.506067552092775e-10 1.844682074124288e-10 -3.136677621572732e-09 ] [ 1.080079058451431e-08 -1.751272501496691e-08 -1.76616708838666e-09 ] [ -9.34440931250685e-09 1.329443333758766e-08 -8.768571333660445e-09 ] [ 1.813970270915497e-09 8.174801313421062e-09 1.15472071812121e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1763347 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.470210892097578e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1197139 0.6969483 0.6976897 ] [ -0.4533141 -0.1905043 2.0506494 ] [ 3.2222205 0.6035959 1.6696158 ] [ 1.200145 3.0053807 0.8940504 ] [ 3.2753412 2.8843224 1.8513835 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1197139e-10 6.969483e-11 6.976897e-11 ] [ -4.533141e-11 -1.905043e-11 2.0506494e-10 ] [ 3.2222205e-10 6.035959e-11 1.6696158e-10 ] [ 1.200145e-10 3.0053807e-10 8.940504000000001e-11 ] [ 3.2753412e-10 2.8843224e-10 1.8513835e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.5e-06 -1.46e-05 -2.13e-05 ] [ 4.5e-05 3.45e-05 -8.1e-06 ] [ -1.49e-05 -3.89e-05 1.98e-05 ] [ -2.73e-05 2.5e-06 1.61e-05 ] [ 7e-07 1.66e-05 -6.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.6076181728e-15 -2.339177866368e-14 -3.412636202304e-14 ] [ 7.209794793600001e-14 5.52750934176e-14 -1.297763062848e-14 ] [ -2.387243164992e-14 -6.232467054911999e-14 3.172309709184e-14 ] [ -4.373942174784e-14 4.005441552e-15 2.579504359488e-14 ] [ 1.12152363456e-15 2.659613190528e-14 -1.025393037312e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.979696 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.239794209709128e-18 } }