{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] "source-value" [ 5.41394 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] "source-value" [ 0.0321649 5.43167 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] "source-value" [ -0.034689 -0.0250046 5.52467 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 5.833872748659513e-10 8.338122872268536e-10 4.983961310093875e-10 ] [ 7.64564611499257e-10 -3.711935612482406e-10 -1.496886059375562e-09 ] [ -1.051118226006213e-09 -1.256651210758272e-11 -4.124334272499706e-10 ] [ -1.093394860499263e-09 1.238984489813697e-09 -5.087378606613274e-10 ] [ 1.20035456952725e-09 -3.891751098988033e-10 -1.830022158043968e-10 ] [ 3.18444619708656e-10 -1.048331560209656e-09 -6.374708295306624e-10 ] [ -7.585218421562477e-10 -9.361931356902566e-10 1.698127614048809e-09 ] [ 3.628369284294721e-11 6.846631021139885e-10 1.042006647563724e-09 ] ] "source-value" [ [ 0.3641217 0.5204247 0.3110744 ] [ 0.4772037 -0.2316808 -0.9342828 ] [ -0.6560564 -0.0078434 -0.2574207 ] [ -0.6824434 0.7733133 -0.3175292 ] [ 0.7492024 -0.242904 -0.114221 ] [ 0.1987575 -0.6543171 -0.397878 ] [ -0.4734321 -0.5843258 1.0598879 ] [ 0.0226465 0.4273331 0.6503694 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.04706e-12 2.16981e-12 1.76006e-12 ] [ 1.39448e-10 1.38403e-10 1.49781e-10 ] [ 1.79868e-12 2.6904e-10 2.7801e-10 ] [ 1.33759e-10 4.02716e-10 4.17727e-10 ] [ 2.6683e-10 -2.31463e-12 2.83015e-10 ] [ 4.02805e-10 1.42643e-10 4.228710000000001e-10 ] [ 2.71964e-10 2.8128e-10 -5.74889e-12 ] [ 4.09713e-10 4.052900000000001e-10 1.34951e-10 ] ] "source-value" [ [ -0.0104706 0.0216981 0.0176006 ] [ 1.39448 1.38403 1.49781 ] [ 0.0179868 2.6904 2.7801 ] [ 1.33759 4.02716 4.17727 ] [ 2.6683 -0.0231463 2.83015 ] [ 4.02805 1.42643 4.22871 ] [ 2.71964 2.8128 -0.0574889 ] [ 4.09713 4.0529 1.34951 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.398637684901467e-17 "source-value" 149.71119 } }