{ "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" [ [ 0.8784497 0.4697805 1.02237 ] [ 0.3714623 2.027429 0.7033507 ] [ 0.1687176 1.823848 2.813644 ] [ 2.523837 0.1233038 2.780688 ] [ 2.720424 2.179791 0.2128499 ] [ 1.955613 2.373981 2.741889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.784497e-11 4.697805e-11 1.02237e-10 ] [ 3.714623e-11 2.027429e-10 7.033507e-11 ] [ 1.687176e-11 1.823848e-10 2.813644e-10 ] [ 2.523837e-10 1.233038e-11 2.780688e-10 ] [ 2.720424e-10 2.179791e-10 2.128499e-11 ] [ 1.955613e-10 2.373981e-10 2.741889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 179.3717267 -530.782407 115.7447594 ] [ -167.7582286 537.1015841 -113.928135 ] [ -94.6720837 -33.6409167 7.3791372 ] [ -5.3129408 5.5692747 -3.9058496 ] [ -7.2877467 -2.7908803 5.9909732 ] [ 95.6592731 24.5433452 -11.2808852 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.873851869512672e-07 -8.504071632273503e-07 1.854435474908011e-07 ] [ -2.687783118097419e-07 8.60531601039665e-07 -1.825329943483462e-07 ] [ -1.516813991465607e-07 -5.389869023902028e-08 1.182268110351557e-08 ] [ -8.512269537454449e-09 8.922961719152935e-09 -6.257860913481032e-09 ] [ -1.167625738105235e-08 -4.47148316811129e-09 9.598597196879363e-09 ] [ 1.532630509235423e-07 3.93227738756639e-08 -1.807397052936874e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 45.764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.332201087429121e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8644968 0.2851589 0.9124264 ] [ 0.5355809 2.4704303 0.8827714 ] [ 0.2946479 1.3421567 2.7678248 ] [ 2.3372543 0.5289476 2.5421586 ] [ 2.5781871 1.6572205 0.6571062 ] [ 2.0083366 2.7142193 2.5125042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.644967999999999e-11 2.851589e-11 9.124264e-11 ] [ 5.355809e-11 2.4704303e-10 8.827714000000001e-11 ] [ 2.946479e-11 1.3421567e-10 2.7678248e-10 ] [ 2.3372543e-10 5.289476e-11 2.5421586e-10 ] [ 2.5781871e-10 1.6572205e-10 6.571062e-11 ] [ 2.0083366e-10 2.7142193e-10 2.5125042e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.32e-05 4.11e-05 1.43e-05 ] [ -3.8e-06 -4.45e-05 1.5e-06 ] [ 9.9e-06 -3e-06 -3.34e-05 ] [ -2.83e-05 3.97e-05 2.3e-05 ] [ -3.59e-05 3.25e-05 1.28e-05 ] [ 4.5e-05 -6.58e-05 -1.83e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.114873139456e-14 6.584945911488e-14 2.291112567744e-14 ] [ -6.08827115904e-15 -7.129685962560001e-14 2.4032649312e-15 ] [ 1.586154854592e-14 -4.8065298624e-15 -5.351269913472e-14 ] [ -4.534159836864e-14 6.360641184576e-14 3.68500622784e-14 ] [ -5.751814068672e-14 5.207074017599999e-14 2.050786074624e-14 ] [ 7.209794793600001e-14 -1.0542322164864e-13 -2.931983216064e-14 ] ] } "relaxed-potential-energy" { "source-value" -40.305538 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.457659067236599e-18 } }