{ "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" [ 5.51626 0 0 ] "si-unit" "m" "si-value" [ 5.516260000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0156708 5.55287 0 ] "si-unit" "m" "si-value" [ 1.56708e-12 5.55287e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0707378 -0.0779479 5.31818 ] "si-unit" "m" "si-value" [ 7.073780000000001e-12 -7.79479e-12 5.31818e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0442334 -0.0178769 0.0866315 ] [ 1.37385 1.41168 1.32363 ] [ 0.027051 2.64271 2.7677 ] [ 1.3087 3.96384 4.18589 ] [ 2.72942 0.00808237 2.56914 ] [ 4.1019 1.31789 4.05807 ] [ 2.73169 2.7615 0.0742825 ] [ 4.00667 4.08894 1.33622 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.42334e-12 -1.78769e-12 8.66315e-12 ] [ 1.37385e-10 1.41168e-10 1.32363e-10 ] [ 2.7051e-12 2.64271e-10 2.7677e-10 ] [ 1.3087e-10 3.96384e-10 4.18589e-10 ] [ 2.72942e-10 8.082370000000001e-13 2.56914e-10 ] [ 4.1019e-10 1.31789e-10 4.05807e-10 ] [ 2.73169e-10 2.7615e-10 7.42825e-12 ] [ 4.00667e-10 4.08894e-10 1.33622e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.4507956 1.5420536 1.0737132 ] [ 0.0497836 -0.1427726 0.7468147 ] [ -2.4888758 1.6038714 -1.9486203 ] [ 4.1083819 0.684807 -4.0659519 ] [ -1.7731716 -0.5640732 4.3897312 ] [ 1.2595668 -2.2646368 -0.0003733 ] [ -2.2439302 -1.7800868 -2.0222604 ] [ 6.539041 0.9208373 1.8269468 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.733137275079508e-09 2.470642225940475e-09 1.720278186484355e-09 ] [ 7.976212001925888e-11 -2.287469218108301e-10 1.196529052409766e-09 ] [ -3.987618618834897e-09 2.569685259849765e-09 -3.122033887476282e-09 ] [ 6.582353429497884e-09 1.097181765160186e-09 -6.514373075477339e-09 ] [ -2.840934082186529e-09 -9.037448934598427e-10 7.033124700236329e-09 ] [ 2.018048479295869e-09 -3.628348135563326e-09 -5.980925325446401e-13 ] [ -3.595172505147068e-09 -2.852013453954685e-09 -3.240018334049657e-09 ] [ 1.047669861265265e-08 1.475343993620596e-09 2.927091450405373e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.909007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.593039487074356e-18 } }