{ "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" [ [ 1.84187 2.347102 1.383115 ] [ 2.042679 1.03426 3.627522 ] [ 0.9834518 3.478775 3.226301 ] [ 4.103178 1.51668 2.106844 ] [ 3.482715 3.397853 2.716774 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84187e-10 2.347102e-10 1.383115e-10 ] [ 2.042679e-10 1.03426e-10 3.627522e-10 ] [ 9.834518e-11 3.478775e-10 3.226301e-10 ] [ 4.103178e-10 1.51668e-10 2.106844e-10 ] [ 3.482715e-10 3.397853e-10 2.716774e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7065421 -2.6497122 -5.9314531 ] [ -1.1341874 -3.0550763 1.4588752 ] [ -1.8817338 2.2216634 2.8379864 ] [ 5.9744606 -14.6040514 -4.1340726 ] [ -0.2519972 18.0871764 5.7686641 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.336358475830936e-09 -4.245306938688534e-09 -9.503235484191685e-09 ] [ -1.817168535885938e-09 -4.894771822620167e-09 2.337375738104924e-09 ] [ -3.014869900929143e-09 3.559497158767039e-09 4.546955460228357e-09 ] [ 9.57214109521074e-09 -2.339826972204151e-08 -6.623514468409869e-09 ] [ -4.037440223470618e-10 2.897885116436551e-08 9.242418754268273e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3961311 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.024773171199179e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6927575 2.2316415 0.8626066 ] [ 2.0542106 0.8470362 4.069414 ] [ 1.258236 3.307389 3.0372437 ] [ 3.7764109 1.5857012 2.0098664 ] [ 3.6722787 3.8029022 3.0814254 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6927575e-10 2.2316415e-10 8.626066e-11 ] [ 2.0542106e-10 8.470362000000001e-11 4.069414e-10 ] [ 1.258236e-10 3.307389e-10 3.0372437e-10 ] [ 3.7764109e-10 1.5857012e-10 2.0098664e-10 ] [ 3.6722787e-10 3.8029022e-10 3.0814254e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.93e-05 2e-06 -3.4e-06 ] [ 2.48e-05 -1e-07 -1.69e-05 ] [ 4.7e-06 5.9e-06 -1.78e-05 ] [ -1.18e-05 -1.12e-05 2.56e-05 ] [ 1.6e-06 3.5e-06 1.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.092200878144e-14 3.2043532416e-15 -5.44740051072e-15 ] [ 3.973398019584e-14 -1.6021766208e-16 -2.707678489152e-14 ] [ 7.53023011776e-15 9.45284206272e-15 -2.851874385024e-14 ] [ -1.890568412544e-14 -1.794437815296e-14 4.101572149248001e-14 ] [ 2.56348259328e-15 5.6076181728e-15 2.002720776e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.892431 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.905377491267717e-18 } }