{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1944303 1.9007235 0.624846 ] [ -0.717509 0.3290507 0.9023865 ] [ 0.8550067 -1.395973 0.7226975 ] [ -1.2183035 1.0729875 -0.3275625 ] [ 1.4379527 -0.0666222 -1.2493973 ] [ 1.8603138 -0.2526971 -1.0251279 ] [ -0.0230305 -1.5874693 0.3521575 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.51586492263513e-09 3.045294754305149e-09 1.001113652800397e-09 ] [ -1.149576145013587e-09 5.271973385978745e-10 1.445782553225539e-09 ] [ 1.369871745367359e-09 -2.236595303868038e-09 1.157889038410608e-09 ] [ -1.951937384738813e-09 1.71911548691064e-09 -5.248129793508e-10 ] [ 2.303854197756236e-09 -1.067405312662618e-10 -2.001755144150644e-09 ] [ 2.980551277711607e-09 -4.048653857639597e-10 -1.6424359547098e-09 ] [ -3.68989286653344e-11 -2.543406198697741e-09 5.64218513339376e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.544330085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.368952590350226e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8502176 5.2307757 2.910457 ] [ 5.5829225 3.1470734 1.5166821 ] [ 3.3261481 2.9136092 2.3743716 ] [ 5.3156071 2.5820293 3.7216984 ] [ 4.0592407 4.7840961 1.0153095 ] [ 5.2477169 4.9319089 3.1245397 ] [ 3.626687 3.8698174 4.5830968 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8502176e-10 5.230775699999999e-10 2.910457e-10 ] [ 5.582922499999999e-10 3.1470734e-10 1.5166821e-10 ] [ 3.3261481e-10 2.9136092e-10 2.3743716e-10 ] [ 5.3156071e-10 2.5820293e-10 3.7216984e-10 ] [ 4.0592407e-10 4.7840961e-10 1.0153095e-10 ] [ 5.2477169e-10 4.9319089e-10 3.1245397e-10 ] [ 3.626687e-10 3.8698174e-10 4.5830968e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.3e-06 1.64e-05 -1.82e-05 ] [ 5e-06 1.08e-05 1.3e-05 ] [ 1.66e-05 -5.7e-06 -4.8e-05 ] [ -2.89e-05 8e-07 2.86e-05 ] [ -2.2e-05 1.3e-06 3.12e-05 ] [ 8.8e-06 -9.2e-06 -4.04e-05 ] [ 2.77e-05 -1.43e-05 3.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.169588933184e-14 2.627569658112e-14 -2.915961449856e-14 ] [ 8.010883104e-15 1.730350750464e-14 2.08282960704e-14 ] [ 2.659613190528e-14 -9.13240673856e-15 -7.69044777984e-14 ] [ -4.630290434112001e-14 1.28174129664e-15 4.582225135488e-14 ] [ -3.52478856576e-14 2.08282960704e-15 4.998791056896e-14 ] [ 1.409915426304e-14 -1.474002491136e-14 -6.472793548032e-14 ] [ 4.438029239616e-14 -2.291112567744e-14 5.415356978304e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }