{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6354481 -0.4793069 3.4889271 ] [ -1.7658473 2.4305123 -3.3437874 ] [ -0.9839337 -0.1841013 -0.9746011 ] [ 1.6628698 -0.4075707 1.023819 ] [ 3.0598853 -2.1549553 1.4137936 ] [ -1.5941898 2.0539256 -1.2343091 ] [ -3.7190942 -4.1157751 -3.3264321 ] [ 2.7048619 2.8572715 2.95259 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.01810008955178e-09 -7.679343093681235e-10 5.589877431295544e-09 ] [ -2.829199259962803e-09 3.894109983626836e-09 -5.357337997205617e-09 ] [ -1.576435570557241e-09 -2.94962798718887e-10 -1.561483097025963e-09 ] [ 2.664211116994372e-09 -6.530002468630906e-10 1.640338865730835e-09 ] [ 4.902476689989594e-09 -3.45261900052905e-09 2.265147052556667e-09 ] [ -2.554173626677828e-09 3.290751577182612e-09 -1.977581182860689e-09 ] [ -5.958645777792878e-09 -6.594198641690782e-09 -5.329531741298648e-09 ] [ 4.333666498672668e-09 4.577853596578147e-09 4.730570668807871e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.850619 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.743902360300828e-18 } }