{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.2140197e-10 -1.85198e-12 2.129709e-11 ] [ 2.147228e-11 2.9199591e-10 6.4596e-11 ] [ -3.296394e-11 1.3536399e-10 2.3258766e-10 ] [ 1.7119495e-10 2.022414e-11 2.5791541e-10 ] [ 2.4745069e-10 2.396207e-10 2.246077e-11 ] [ 3.1542332e-10 2.1560551e-10 2.5438366e-10 ] ] "source-value" [ [ 2.2140197 -0.0185198 0.2129709 ] [ 0.2147228 2.9199591 0.64596 ] [ -0.3296394 1.3536399 2.3258766 ] [ 1.7119495 0.2022414 2.5791541 ] [ 2.4745069 2.396207 0.2246077 ] [ 3.1542332 2.1560551 2.5438366 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 9.188482920288e-13 -1.54561978608576e-12 -1.8921705891648e-13 ] [ 1.22678663854656e-12 9.818138332262401e-13 -8.989813019308801e-13 ] [ -1.9979142461376e-13 -2.4032649312e-14 1.73531749798848e-12 ] [ -1.7255442206016e-13 -7.786578377088e-14 -2.14403275395456e-12 ] [ -1.84987312637568e-12 -3.3757861400256e-13 1.409915426304e-14 ] [ 7.658404247424001e-14 1.00312278228288e-12 1.48265424488832e-12 ] ] "source-value" [ [ 0.0005735 -0.0009647 -0.0001181 ] [ 0.0007657 0.0006128 -0.0005611 ] [ -0.0001247 -1.5e-05 0.0010831 ] [ -0.0001077 -4.86e-05 -0.0013382 ] [ -0.0011546 -0.0002107 8.8e-06 ] [ 4.78e-05 0.0006261 0.0009254 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.530729717333862e-18 "source-value" -9.5540635 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.193842983136273e-09 -9.838399137373712e-09 -6.845146444283052e-09 ] [ -1.874737577723901e-08 9.703070968662518e-09 -1.320403404654759e-08 ] [ -2.069887224297178e-08 -7.655823140887891e-10 1.184503178781106e-08 ] [ 1.39375427072999e-09 -2.166210082739674e-08 7.514141220351588e-09 ] [ 2.090248437817316e-08 1.145447255752954e-08 -1.209645191207114e-08 ] [ 1.495616654838902e-08 1.110853875266718e-08 1.278645923452147e-08 ] ] "source-value" [ [ 1.3692891 -6.1406458 -4.2724044 ] [ -11.7011917 6.0561806 -8.2413099 ] [ -12.91922 -0.4778389 7.3930874 ] [ 0.869913 -13.52042 4.6899581 ] [ 13.0463047 7.1493195 -7.5500115 ] [ 9.334905 6.9334046 7.9806802 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 7.800973613590563e-19 "source-value" 4.8689848 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.497272e-10 4.149497e-12 4.590085e-12 ] [ 5.144624e-11 2.623314e-10 1.336692e-11 ] [ 1.881884e-11 1.665255e-10 2.217108e-10 ] [ 2.303156e-10 3.070008e-11 2.474488e-10 ] [ 2.009269e-10 2.269424e-10 9.602388e-11 ] [ 2.927445e-10 2.103094e-10 2.701001e-10 ] ] "source-value" [ [ 1.497272 0.04149497 0.04590085 ] [ 0.5144624 2.623314 0.1336692 ] [ 0.1881884 1.665255 2.217108 ] [ 2.303156 0.3070008 2.474488 ] [ 2.009269 2.269424 0.9602388 ] [ 2.927445 2.103094 2.701001 ] ] } "instance-id" 1 }