{ "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" [ [ 0.7145242 0.8187554 1.873184 ] [ 0.3169354 2.259423 0.2511792 ] [ 1.412151 2.902885 2.703929 ] [ 2.136626 0.3772665 0.2243012 ] [ 2.65148 2.117604 0.8383983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.145242000000001e-11 8.187554e-11 1.873184e-10 ] [ 3.169354e-11 2.259423e-10 2.511792e-11 ] [ 1.412151e-10 2.902885e-10 2.703929e-10 ] [ 2.136626e-10 3.772665e-11 2.243012e-11 ] [ 2.65148e-10 2.117604e-10 8.383983000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3864151 -2.181005 3.3243785 ] [ -1.2665186 1.7271886 -2.3628303 ] [ 0.0668579 0.3157057 0.6026917 ] [ -3.1294985 -14.2156117 -5.8766129 ] [ 5.7155742 14.3537224 4.312373 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.221281859944094e-09 -3.494355220847904e-09 5.326241511390172e-09 ] [ -2.029186490728347e-09 2.767261194632283e-09 -3.78567146557785e-09 ] [ 1.071181642957843e-10 5.058162915932985e-10 9.656185512902075e-10 ] [ -5.014009331528669e-09 -2.277592071611094e-08 -9.415371797871689e-09 ] [ 9.157359357687663e-09 2.299719845073327e-08 6.909183200769159e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.9280633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.59065109090825e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4711935 0.5848163 2.0897658 ] [ 0.4708209 2.2896589 0.2791808 ] [ 1.3763078 2.7613455 2.5468496 ] [ 2.0041403 0.3317921 0.2590559 ] [ 2.9092542 2.5083211 0.7161396 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.711935e-11 5.848163e-11 2.0897658e-10 ] [ 4.708209e-11 2.2896589e-10 2.791808e-11 ] [ 1.3763078e-10 2.7613455e-10 2.5468496e-10 ] [ 2.0041403e-10 3.317921e-11 2.590559e-11 ] [ 2.9092542e-10 2.5083211e-10 7.161396e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.3e-06 -9.7e-06 -2.8e-06 ] [ -1.64e-05 8.2e-06 -1.22e-05 ] [ 1.09e-05 -7.9e-06 -1.45e-05 ] [ -1.03e-05 3.5e-06 1.72e-05 ] [ 7.5e-06 6e-06 1.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.329806595264e-14 -1.554111322176e-14 -4.48609453824e-15 ] [ -2.627569658112e-14 1.313784829056e-14 -1.954655477376e-14 ] [ 1.746372516672e-14 -1.265719530432e-14 -2.32315610016e-14 ] [ -1.650241919424e-14 5.6076181728e-15 2.755743787776e-14 ] [ 1.2016324656e-14 9.6130597248e-15 1.970677243584e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.9991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.242903073224128e-18 } }