{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.175063 2.090387 1.108777 ] [ 2.290473 2.943113 3.7458 ] [ 1.562387 4.346014 1.227002 ] [ 3.205072 1.346551 2.036178 ] [ 4.414518 1.768723 4.119804 ] [ 3.44377 3.554925 2.238453 ] [ 4.008705 3.851776 5.027783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.175063e-10 2.090387e-10 1.108777e-10 ] [ 2.290473e-10 2.943113e-10 3.7458e-10 ] [ 1.562387e-10 4.346014000000001e-10 1.227002e-10 ] [ 3.205072e-10 1.346551e-10 2.036178e-10 ] [ 4.414518e-10 1.768723e-10 4.119804e-10 ] [ 3.44377e-10 3.554925e-10 2.238453e-10 ] [ 4.008705e-10 3.851776e-10 5.027783000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0424599 -1.9606815 -2.5506673 ] [ -6.3269348 -3.4698347 10.1209092 ] [ -1.4468532 1.5227785 -1.7435636 ] [ -0.1037468 -3.8223803 -0.712988 ] [ 0.8056113 -1.4267098 -0.1694783 ] [ 9.801423 7.4704707 -5.6041467 ] [ 0.3129604 1.6863571 0.6599347 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.874558121501506e-09 -3.141358060135075e-09 -4.08661951549906e-09 ] [ -1.013686701788592e-08 -5.559288034380581e-09 1.621548410147963e-08 ] [ -2.318114370769667e-09 2.439760111356893e-09 -2.793496836797883e-09 ] [ -1.662206974428134e-10 -6.12412835246649e-09 -1.14233270451095e-09 ] [ 1.290731590312295e-09 -2.285841086226244e-09 -2.715341699929286e-10 ] [ 1.57036107811714e-08 1.196901350191141e-08 -8.978832822273473e-09 ] [ 5.014178361162164e-10 2.701841919940088e-09 1.057331947594662e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.049834 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.731684542332095e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3804749 2.0093313 0.6067243 ] [ 2.2785413 2.656137 4.330479 ] [ 1.4302223 4.2679189 0.899205 ] [ 3.0700869 1.6345187 2.2136536 ] [ 4.3812113 1.3921494 4.301776 ] [ 3.1254071 4.1478395 2.5391525 ] [ 4.4340442 3.7935943 4.6128066 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3804749e-10 2.0093313e-10 6.067243e-11 ] [ 2.2785413e-10 2.656137e-10 4.330479000000001e-10 ] [ 1.4302223e-10 4.2679189e-10 8.99205e-11 ] [ 3.0700869e-10 1.6345187e-10 2.2136536e-10 ] [ 4.381211300000001e-10 1.3921494e-10 4.301776e-10 ] [ 3.1254071e-10 4.1478395e-10 2.5391525e-10 ] [ 4.4340442e-10 3.7935943e-10 4.6128066e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.31e-05 1.56e-05 1.25e-05 ] [ 1.92e-05 1.13e-05 -8.2e-06 ] [ -4.9e-06 -4.7e-06 1.54e-05 ] [ 7.4e-06 -5.8e-06 -1.16e-05 ] [ -1.01e-05 -1.4e-05 1.42e-05 ] [ -7.8e-06 -5.6e-06 -1.04e-05 ] [ -1.69e-05 3.2e-06 -1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.098851373248e-14 2.499395528448e-14 2.002720776e-14 ] [ 3.076179111936e-14 1.810459581504e-14 -1.313784829056e-14 ] [ -7.850665441919999e-15 -7.53023011776e-15 2.467351996032e-14 ] [ 1.185610699392e-14 -9.292624400640001e-15 -1.858524880128e-14 ] [ -1.618198387008e-14 -2.24304726912e-14 2.275090801536e-14 ] [ -1.249697764224e-14 -8.972189076479999e-15 -1.666263685632e-14 ] [ -2.707678489152e-14 5.126965186560001e-15 -1.906590178752e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.787091 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.330459121464209e-18 } }