{ "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" [ [ 3.027282 5.632261 2.076972 ] [ 2.884751 3.592598 1.127951 ] [ 2.371812 3.264152 3.427474 ] [ 4.423647 2.751313 2.650154 ] [ 4.69656 4.49664 0.8853521 ] [ 4.67919 4.727196 3.249691 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.027282e-10 5.632261e-10 2.076972e-10 ] [ 2.884751e-10 3.592598e-10 1.127951e-10 ] [ 2.371812e-10 3.264152e-10 3.427474e-10 ] [ 4.423647e-10 2.751313e-10 2.650154e-10 ] [ 4.69656e-10 4.496640000000001e-10 8.853521e-11 ] [ 4.679190000000001e-10 4.727196000000001e-10 3.249691e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7830741 3.8432633 0.6262696 ] [ -10.7664874 -6.83411 -5.2561842 ] [ -1.7632146 1.753359 1.5545882 ] [ 2.7714263 -7.8694631 -1.5791726 ] [ 8.5186777 2.954563 -2.8669822 ] [ 5.0226721 6.1523879 7.5214813 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.061152877774001e-09 6.157586606838656e-09 1.003394511437768e-09 ] [ -1.724981440041778e-08 -1.094945126597549e-08 -8.421335439858352e-09 ] [ -2.824981209573224e-09 2.809190797669267e-09 2.490724869011555e-09 ] [ 4.440314424130247e-09 -1.260826979706829e-08 -2.53011341992795e-09 ] [ 1.364842625107032e-08 4.733731763280711e-09 -4.593411853089749e-09 ] [ 8.04720781256444e-09 9.85721205547281e-09 1.205074149264439e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -14.140571 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.265569226096248e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8471012 5.6307523 2.0457909 ] [ 2.647891 3.369365 0.9807568 ] [ 2.5045523 3.5981506 3.4737404 ] [ 4.5139785 2.5239678 2.4267436 ] [ 4.8565285 4.556568 0.9987898 ] [ 4.7131905 4.7853562 3.4917726 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8471012e-10 5.6307523e-10 2.0457909e-10 ] [ 2.647891e-10 3.369365e-10 9.807568e-11 ] [ 2.5045523e-10 3.5981506e-10 3.4737404e-10 ] [ 4.513978500000001e-10 2.5239678e-10 2.4267436e-10 ] [ 4.8565285e-10 4.556568000000001e-10 9.987898e-11 ] [ 4.7131905e-10 4.7853562e-10 3.4917726e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.3e-06 1.41e-05 -2.47e-05 ] [ -9.9e-06 -8.8e-06 -1.22e-05 ] [ 4.7e-06 -1.14e-05 1.26e-05 ] [ -1.9e-06 -1.82e-05 2.8e-06 ] [ -1.18e-05 1.81e-05 -3.8e-06 ] [ 9.5e-06 6.1e-06 2.53e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.490024257344e-14 2.259069035328e-14 -3.957376253376001e-14 ] [ -1.586154854592e-14 -1.409915426304e-14 -1.954655477376e-14 ] [ 7.53023011776e-15 -1.826481347712e-14 2.018742542208e-14 ] [ -3.04413557952e-15 -2.915961449856e-14 4.48609453824e-15 ] [ -1.890568412544e-14 2.899939683648e-14 -6.08827115904e-15 ] [ 1.52206778976e-14 9.77327738688e-15 4.053506850624e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.423038 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.951696076770999e-18 } }