{ "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" [ 5.51396 0 0 ] "si-unit" "m" "si-value" [ 5.51396e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0181329 5.46551 0 ] "si-unit" "m" "si-value" [ 1.81329e-12 5.46551e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.147171 -0.00272143 5.46493 ] "si-unit" "m" "si-value" [ 1.47171e-11 -2.72143e-13 5.46493e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0812176 -0.117418 -0.0378641 ] [ 1.41633 1.35692 1.32004 ] [ 0.0825096 2.73802 2.72856 ] [ 1.5042 4.09281 4.08646 ] [ 2.79856 -0.0135645 2.62504 ] [ 4.22175 1.43085 4.07963 ] [ 2.7526 2.68069 -0.168753 ] [ 4.2604 4.00574 1.18537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.12176e-12 -1.17418e-11 -3.78641e-12 ] [ 1.41633e-10 1.35692e-10 1.32004e-10 ] [ 8.25096e-12 2.73802e-10 2.72856e-10 ] [ 1.5042e-10 4.09281e-10 4.08646e-10 ] [ 2.79856e-10 -1.35645e-12 2.62504e-10 ] [ 4.22175e-10 1.43085e-10 4.07963e-10 ] [ 2.7526e-10 2.68069e-10 -1.68753e-11 ] [ 4.2604e-10 4.00574e-10 1.18537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3048896 2.3247556 -0.7501447 ] [ -0.451608 -0.4009319 -0.4202266 ] [ 0.1923273 0.0799218 -0.5539653 ] [ -0.1231162 -0.0590196 -0.9025002 ] [ 0.8256847 -0.0871462 0.263234 ] [ 0.6236354 -2.1234557 -1.1559938 ] [ -0.5968404 0.8714421 1.8254827 ] [ -1.7749724 -0.6055662 1.6941138 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.090663627069607e-09 3.72466910208065e-09 -1.20186431045894e-09 ] [ -7.23555785327472e-10 -6.423637220052245e-10 -6.732772395052644e-10 ] [ 3.081423061403082e-10 1.280488405072212e-10 -8.875502597068001e-10 ] [ -1.972538989068708e-10 -9.45598240680264e-11 -1.445964732620327e-09 ] [ 1.3228927333913e-09 -1.396236053818908e-10 4.21747364074356e-10 ] [ 9.991740660152434e-10 -3.402151105874113e-09 -1.852106255408869e-09 ] [ -9.562437431072135e-10 1.396204170503891e-09 2.924745727711232e-09 ] [ -2.843819305274901e-09 -9.702240159801708e-10 2.714269545696949e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.134891 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.789447803233689e-18 } }