{ "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" [ 5.41394 0 0 ] "si-unit" "m" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0321649 5.43167 0 ] "si-unit" "m" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.034689 -0.0250046 5.52467 ] "si-unit" "m" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.6916816 1.2907384 0.943319 ] [ 1.7503294 -0.1246492 -10.9289962 ] [ -5.1932253 3.5585407 4.0260597 ] [ -6.8621658 7.6258836 -6.2886131 ] [ 5.2145824 -2.6417246 2.7169593 ] [ 2.6139791 -4.4851008 -6.8535748 ] [ -0.3149221 -6.5383304 12.2496488 ] [ -0.9002593 1.3146422 4.1351973 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.914725950957538e-09 2.067990888048799e-09 1.511363647756435e-09 ] [ 2.804336843378892e-09 -1.997100340414234e-10 -1.751018220045204e-08 ] [ -8.320464162207066e-09 5.701410713705266e-09 6.450458725285062e-09 ] [ -1.099440161281333e-08 1.221801241686214e-08 -1.007546888607661e-08 ] [ 8.354682008515155e-09 -4.232509392712232e-09 4.353048670125133e-09 ] [ 4.188056201279825e-09 -7.185923643691376e-09 -1.098063731346403e-08 ] [ -5.045608259932397e-10 -1.047556010594591e-08 1.962610092037077e-08 ] [ -1.442374403117773e-09 2.106288997557078e-09 6.625316436455284e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.983558 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.604983874000082e-18 } }