{ "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" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6079234 -0.1850704 -1.5868052 ] [ -2.2344905 2.0359095 -0.5211008 ] [ 1.2411521 -2.1505306 -0.6575217 ] [ 1.4532411 -0.7998586 -1.1982424 ] [ 1.0649756 -2.9989111 1.5543185 ] [ -0.9002642 1.4418644 -0.669268 ] [ 2.9833093 2.6565967 3.0786196 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.780530521117247e-09 -2.965154680821044e-10 -2.542342193203868e-09 ] [ -3.580048438499703e-09 3.261886602964618e-09 -8.348955188401766e-10 ] [ 1.988544877476824e-09 -3.445529849634997e-09 -1.053465895408671e-09 ] [ 2.328348914805675e-09 -1.281514748865819e-09 -1.919795959331282e-09 ] [ 1.706279008042452e-09 -4.804785252277611e-09 2.490292761976924e-09 ] [ -1.442382253783215e-09 2.31012143204382e-09 -1.072285542649574e-09 ] [ 4.779788413075214e-09 4.256337123634432e-09 4.932492347456648e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.233534 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.241769513096191e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8788356 2.4260942 3.784782 ] [ 2.0915832 4.7366258 2.9233087 ] [ 2.9238011 2.8515179 1.5522714 ] [ 5.0399661 2.1236479 2.4910157 ] [ 4.0598265 1.7246217 4.5850361 ] [ 4.5359674 4.4940013 2.6198696 ] [ 3.4909972 4.0685822 4.8523805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8788356e-10 2.4260942e-10 3.784782e-10 ] [ 2.0915832e-10 4.7366258e-10 2.9233087e-10 ] [ 2.9238011e-10 2.8515179e-10 1.5522714e-10 ] [ 5.0399661e-10 2.1236479e-10 2.4910157e-10 ] [ 4.0598265e-10 1.7246217e-10 4.5850361e-10 ] [ 4.5359674e-10 4.4940013e-10 2.6198696e-10 ] [ 3.4909972e-10 4.0685822e-10 4.8523805e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4e-06 -5e-06 7.8e-06 ] [ -2.3e-06 4.8e-06 -3.6e-06 ] [ 3.5e-06 3.1e-06 3.7e-06 ] [ 7e-07 1.03e-05 -2.6e-06 ] [ -8.6e-06 1.8e-06 1.3e-06 ] [ 0.0 -9.9e-06 2.1e-06 ] [ 2.7e-06 -5.1e-06 -8.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.4087064832e-15 -8.010883104e-15 1.249697764224e-14 ] [ -3.68500622784e-15 7.69044777984e-15 -5.76783583488e-15 ] [ 5.6076181728e-15 4.96674752448e-15 5.928053496960001e-15 ] [ 1.12152363456e-15 1.650241919424e-14 -4.16565921408e-15 ] [ -1.377871893888e-14 2.88391791744e-15 2.08282960704e-15 ] [ 0.0 -1.586154854592e-14 3.36457090368e-15 ] [ 4.32587687616e-15 -8.17110076608e-15 -1.393893660096e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.563325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.615043180251216e-18 } }