{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7145242 0.8187554 1.873184 ] [ 0.3169354 2.259423 0.2511792 ] [ 1.412151 2.902885 2.703929 ] [ 2.136626 0.3772665 0.2243012 ] [ 2.65148 2.117604 0.8383983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.145242000000001e-11 8.187554e-11 1.873184e-10 ] [ 3.169354e-11 2.259423e-10 2.511792e-11 ] [ 1.412151e-10 2.902885e-10 2.703929e-10 ] [ 2.136626e-10 3.772665e-11 2.243012e-11 ] [ 2.65148e-10 2.117604e-10 8.383983000000001e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1755534 2.9397427 3.873368 ] [ -3.6896028 1.4006502 -1.7964539 ] [ 2.5240842 -5.9492501 -6.7331211 ] [ -0.6879548 -8.6919869 -4.0404877 ] [ 2.0290268 10.3008441 8.6966947 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.812675531819507e-10 4.709987025107468e-09 6.205819653354854e-09 ] [ -5.911395346198219e-09 2.244089004358844e-09 -2.878236438924981e-09 ] [ 4.044028694170671e-09 -9.531749421512063e-09 -1.078764921143518e-08 ] [ -1.10222509672714e-09 -1.392609819947987e-08 -6.473574929569964e-09 ] [ 3.250859301936638e-09 1.650377159152562e-08 1.393364092657527e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.7894615 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.275739862321699e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.4418703 2.3303164 1.9612155 ] [ -2.0118575 1.7637311 0.5302838 ] [ 1.7283276 2.291665 2.367385 ] [ 4.3865513 0.5274608 -0.3674405 ] [ 3.5705654 1.5627607 1.3995479 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.418703e-11 2.3303164e-10 1.9612155e-10 ] [ -2.0118575e-10 1.7637311e-10 5.302838e-11 ] [ 1.7283276e-10 2.291665e-10 2.367385e-10 ] [ 4.3865513e-10 5.274608e-11 -3.674405e-11 ] [ 3.5705654e-10 1.5627607e-10 1.3995479e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.0998118 0.0020091 0.2449176 ] [ -0.1691561 0.0117085 -0.0150277 ] [ -0.5762376 -0.1885342 -0.4817638 ] [ -0.126611 0.3031033 0.5417831 ] [ -0.227807 -0.1282867 -0.2899091 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.762092753239965e-09 3.218933048849281e-12 3.924012527424461e-10 ] [ -2.710179486857069e-10 1.87590849646368e-11 -2.407702960439616e-11 ] [ -9.232344107459022e-10 -3.020650874612314e-10 -7.718706971077671e-10 ] [ -2.028531841361088e-10 4.856250209473287e-10 8.680322163645485e-10 ] [ -3.649870494545856e-10 -2.055379514995834e-10 -4.644855821771693e-10 ] ] } "relaxed-potential-energy" { "source-value" -11.021625 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.76585898982248e-18 } }