{ "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" [ [ 2.875077 1.739271 0.5500127 ] [ 2.247142 4.095662 1.890424 ] [ 4.370849 2.938246 1.693427 ] [ 3.902852 1.049683 3.036341 ] [ 5.923496 0.662055 4.457524 ] [ 5.031061 2.817229 4.209838 ] [ 4.680107 5.055758 2.976326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.875077e-10 1.739271e-10 5.500127000000001e-11 ] [ 2.247142e-10 4.095662e-10 1.890424e-10 ] [ 4.370849e-10 2.938246e-10 1.693427e-10 ] [ 3.902852e-10 1.049683e-10 3.036341e-10 ] [ 5.923496e-10 6.62055e-11 4.457524e-10 ] [ 5.031061e-10 2.817229e-10 4.209838000000001e-10 ] [ 4.680106999999999e-10 5.055758e-10 2.976326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8731175 0.3639227 0.3135117 ] [ 1.4867984 -0.3681054 -0.1531101 ] [ 1.0059481 1.0681869 0.2571598 ] [ -0.1090117 -0.4953414 0.367472 ] [ 0.0699233 -0.157396 -0.6381792 ] [ -0.4438599 1.0358441 0.3275945 ] [ -1.1366807 -1.4471109 -0.4744488 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.398888457236495e-09 5.830684465221917e-10 5.023011202256178e-10 ] [ 2.382113655948586e-09 -5.897698707292237e-10 -2.453094246494034e-10 ] [ 1.611706540836695e-09 1.711424091924894e-09 4.120154227641132e-10 ] [ -1.746559985726178e-10 -7.936244169328475e-10 5.88755052049248e-10 ] [ 1.120294774321722e-10 -2.52176193485064e-10 -1.022475802544813e-09 ] [ -7.111419605495765e-10 1.659605213486759e-09 5.24864253326913e-10 ] [ -1.821163257858764e-09 -2.318527270786711e-09 -7.60150781389339e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -15.604447005765541 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.500108037912881e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1419 1.9526954 1.3311498 ] [ 2.5083544 4.1330114 1.7809595 ] [ 5.3052349 2.7038475 1.5003543 ] [ 3.3634018 0.9867838 3.4394906 ] [ 5.7348856 1.3359441 3.2854872 ] [ 4.4372218 2.8580806 4.6153331 ] [ 4.5395855 4.3875411 2.8611182 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1419e-10 1.9526954e-10 1.3311498e-10 ] [ 2.5083544e-10 4.1330114e-10 1.7809595e-10 ] [ 5.305234900000001e-10 2.7038475e-10 1.5003543e-10 ] [ 3.3634018e-10 9.867838e-11 3.4394906e-10 ] [ 5.7348856e-10 1.3359441e-10 3.2854872e-10 ] [ 4.4372218e-10 2.8580806e-10 4.6153331e-10 ] [ 4.539585500000001e-10 4.3875411e-10 2.8611182e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.01e-05 -8.2e-06 1.2e-05 ] [ 1.05e-05 -1.54e-05 -8.1e-06 ] [ -1.94e-05 1.24e-05 1.59e-05 ] [ 1.22e-05 1.61e-05 -7.6e-06 ] [ -4.55e-05 -2.26e-05 -8.5e-06 ] [ 3.15e-05 3.4e-06 -1.32e-05 ] [ -1.93e-05 1.44e-05 9.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.82255166834e-14 -1.31378483988e-14 1.9226119608e-14 ] [ 1.6822854657e-14 -2.46735201636e-14 -1.29776307354e-14 ] [ -3.10822266996e-14 1.98669902616e-14 2.54746084806e-14 ] [ 1.95465549348e-14 2.579504380739999e-14 -1.21765424184e-14 ] [ -7.289903684699999e-14 -3.62091919284e-14 -1.3618501389e-14 ] [ 5.046856397099999e-14 5.4474005556e-15 -2.11487315688e-14 ] [ -3.09220090362e-14 2.30713435296e-14 1.5220678023e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.329594005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.257160049474401e-18 } }