{ "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" [ [ 1.137834 0.6178187 0.8180482 ] [ 0.8147489 0.2195668 2.521416 ] [ 0.6602072 2.742467 0.5700192 ] [ 2.747217 2.135327 0.0253318 ] [ 2.249122 2.278269 1.668886 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.137834e-10 6.178187000000001e-11 8.180482000000001e-11 ] [ 8.147489e-11 2.195668e-11 2.521416e-10 ] [ 6.602072e-11 2.742467e-10 5.700191999999999e-11 ] [ 2.747217e-10 2.135327e-10 2.53318e-12 ] [ 2.249122e-10 2.278269e-10 1.668886e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 87.6696152 122.6119763 -630.4939422 ] [ -128.07507 -160.2334735 636.2087049 ] [ -97.8556257 20.5143239 -31.3298814 ] [ 281.7252366 -57.3770432 -757.2070851 ] [ -143.4641561 74.4842165 782.8222038 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.404622078279723e-07 1.964460418579437e-07 -1.010162653748867e-06 ] [ -2.051988828613235e-07 -2.567223251112764e-07 1.019318712940227e-06 ] [ -1.567819957102956e-07 3.286757014409868e-08 -5.019600351151678e-08 ] [ 4.513735875698685e-07 -9.192815718567162e-08 -1.213179488851336e-06 ] [ -2.298549168262217e-07 1.193368702949056e-07 1.254219433171493e-06 ] ] } "unrelaxed-potential-energy" { "source-value" 561.6765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.999049567527713e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.6811217 0.2000041 -0.0786297 ] [ 1.2178538 0.1434761 2.7525228 ] [ 0.2211006 3.0612564 0.4851275 ] [ 3.1681374 1.7907423 -0.0990055 ] [ 2.3209156 2.7979696 2.543686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.811217000000001e-11 2.000041e-11 -7.86297e-12 ] [ 1.2178538e-10 1.434761e-11 2.7525228e-10 ] [ 2.211006e-11 3.0612564e-10 4.851275e-11 ] [ 3.1681374e-10 1.7907423e-10 -9.90055e-12 ] [ 2.3209156e-10 2.7979696e-10 2.543686e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.5e-05 -2.3e-06 3.66e-05 ] [ 9.4e-06 -5.9e-06 -1.41e-05 ] [ 8.24e-05 -2.57e-05 -2.48e-05 ] [ -3.63e-05 4e-05 -1.62e-05 ] [ -3.05e-05 -6.1e-06 1.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.005441552e-14 -3.68500622784e-15 5.863966432128e-14 ] [ 1.506046023552e-14 -9.45284206272e-15 -2.259069035328e-14 ] [ 1.3201935355392e-13 -4.117593915456e-14 -3.973398019584e-14 ] [ -5.815901133504e-14 6.4087064832e-14 -2.595526125696e-14 ] [ -4.88663869344e-14 -9.77327738688e-15 2.96402674848e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.133456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.943993953270549e-18 } }