{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.839564 1.867321 2.162261 ] [ 1.684665 2.737292 4.133334 ] [ 1.168876 4.298629 2.101191 ] [ 4.284365 2.457862 3.031672 ] [ 3.236614 0.5901118 4.309357 ] [ 3.135041 3.239997 1.121025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.839564e-10 1.867321e-10 2.162261e-10 ] [ 1.684665e-10 2.737292e-10 4.133334e-10 ] [ 1.168876e-10 4.298629e-10 2.101191e-10 ] [ 4.284365e-10 2.457862e-10 3.031672e-10 ] [ 3.236614e-10 5.901118e-11 4.309357e-10 ] [ 3.135041e-10 3.239997e-10 1.121025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0949638 -7.5373846 -4.4447969 ] [ -3.6370949 1.6091147 6.7698866 ] [ -2.9065192 5.3590991 -0.6795233 ] [ 7.7695277 0.70865 1.3317006 ] [ 1.3567692 -2.5845706 2.1026583 ] [ 3.512281 2.4450914 -5.0799254 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.765208504982328e-09 -1.207622138809796e-08 -7.121349677384315e-09 ] [ -5.827268416410914e-09 2.578085952525606e-09 1.08465540359872e-08 ] [ -4.656757110146319e-09 8.58622328657032e-09 -1.088716344548865e-09 ] [ 1.2448155635598e-08 1.13538246232992e-09 2.133619567225333e-09 ] [ 2.173783892061519e-09 -4.140938590127029e-09 3.368829969791073e-09 ] [ 5.627294503880045e-09 3.917468276799141e-09 -8.138937711288088e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.5863833 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.143842855687553e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9689604 0.8967962 1.6649822 ] [ 1.4042356 3.0540456 4.5374009 ] [ 1.5308927 4.3946363 2.5575643 ] [ 4.6347122 2.5407469 2.948651 ] [ 2.8161871 1.2106841 3.9660343 ] [ 2.9941369 3.0943037 1.1842073 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9689604e-10 8.967962000000001e-11 1.6649822e-10 ] [ 1.4042356e-10 3.0540456e-10 4.5374009e-10 ] [ 1.5308927e-10 4.3946363e-10 2.5575643e-10 ] [ 4.6347122e-10 2.5407469e-10 2.948651e-10 ] [ 2.8161871e-10 1.2106841e-10 3.9660343e-10 ] [ 2.9941369e-10 3.0943037e-10 1.1842073e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 -1.62e-05 -1.92e-05 ] [ 4.5e-06 3.5e-06 1.28e-05 ] [ 6.6e-06 -1.2e-06 -1.11e-05 ] [ 3e-06 3e-07 -1e-06 ] [ -7.6e-06 -7.4e-06 2.43e-05 ] [ -9.3e-06 2.11e-05 -5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 -2.595526125696e-14 -3.076179111936e-14 ] [ 7.2097947936e-15 5.6076181728e-15 2.050786074624e-14 ] [ 1.057436569728e-14 -1.92261194496e-15 -1.778416049088e-14 ] [ 4.8065298624e-15 4.8065298624e-16 -1.6021766208e-15 ] [ -1.217654231808e-14 -1.185610699392e-14 3.893289188544e-14 ] [ -1.490024257344e-14 3.380592669888e-14 -9.45284206272e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.9625962 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.435966209331092e-18 } }