{ "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" [ [ 1.939068 2.794248 2.067966 ] [ 1.448231 2.940333 4.223978 ] [ 1.5948 5.060325 2.938211 ] [ 4.644526 2.195179 2.001544 ] [ 4.236112 3.084417 4.332379 ] [ 3.905251 4.388461 2.479334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.939068e-10 2.794248e-10 2.067966e-10 ] [ 1.448231e-10 2.940333e-10 4.223978e-10 ] [ 1.5948e-10 5.060325e-10 2.938211e-10 ] [ 4.644526e-10 2.195179e-10 2.001544e-10 ] [ 4.236112000000001e-10 3.084417e-10 4.332379e-10 ] [ 3.905251e-10 4.388461e-10 2.479334e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.5082174 -2.2663381 -4.430107 ] [ 4.1682031 0.0391507 4.2895293 ] [ -0.7398007 1.7466338 0.2280978 ] [ -2.2196735 -1.3350272 -0.5533663 ] [ -4.6222669 -1.7147709 2.2662409 ] [ -0.0946794 3.5303517 -1.8003946 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.620783898963761e-09 -3.631073918648293e-09 -7.097813863042425e-09 ] [ 6.678197557566085e-09 6.272633622795455e-11 6.87258355869659e-09 ] [ -1.185291385591474e-09 2.798415839459063e-09 3.654529624159142e-10 ] [ -3.556308987509309e-09 -2.138949367972086e-09 -8.86590548598599e-10 ] [ -7.405687962277691e-09 -2.747365846008175e-09 3.630918187080751e-09 ] [ -1.516931211513715e-10 5.656246956941536e-09 -2.884550136334568e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.649239 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.866413837591157e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0536022 2.7576985 1.8161347 ] [ 1.704956 3.0010306 4.3672668 ] [ 1.4610216 5.0621715 2.9190408 ] [ 4.490618 2.0793664 2.0712434 ] [ 4.1392233 2.9518747 4.4208016 ] [ 3.918567 4.6108213 2.4489248 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0536022e-10 2.7576985e-10 1.8161347e-10 ] [ 1.704956e-10 3.0010306e-10 4.3672668e-10 ] [ 1.4610216e-10 5.0621715e-10 2.9190408e-10 ] [ 4.490618000000001e-10 2.0793664e-10 2.0712434e-10 ] [ 4.1392233e-10 2.9518747e-10 4.4208016e-10 ] [ 3.918567e-10 4.610821299999999e-10 2.4489248e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.34e-05 -3e-05 -7.8e-06 ] [ -2.77e-05 -1.06e-05 1.94e-05 ] [ 3.6e-06 1.9e-06 -7.3e-06 ] [ -5.3e-06 1.74e-05 -3.1e-06 ] [ 7.5e-06 2.7e-05 -3.51e-05 ] [ 4.54e-05 -5.7e-06 3.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.749093292672001e-14 -4.8065298624e-14 -1.249697764224e-14 ] [ -4.438029239616e-14 -1.698307218048e-14 3.108222644352e-14 ] [ 5.76783583488e-15 3.04413557952e-15 -1.169588933184e-14 ] [ -8.491536090240001e-15 2.787787320192e-14 -4.96674752448e-15 ] [ 1.2016324656e-14 4.32587687616e-14 -5.623639939008e-14 ] [ 7.273881858432e-14 -9.13240673856e-15 5.44740051072e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.657752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.188213094708444e-18 } }