{ "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" [ 5.47042 0 0 ] "si-unit" "m" "si-value" [ 5.47042e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0146058 5.3888 0 ] "si-unit" "m" "si-value" [ 1.46058e-12 5.3888e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.134413 -0.103851 5.39218 ] "si-unit" "m" "si-value" [ 1.34413e-11 -1.03851e-11 5.39218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0813222 0.0658783 -0.0148119 ] [ 1.29496 1.3028 1.25678 ] [ 0.00731236 2.63688 2.91411 ] [ 1.38293 3.97853 4.11798 ] [ 2.91023 -0.000259257 2.64672 ] [ 4.15592 1.24599 4.16086 ] [ 2.63613 2.74458 -0.00927687 ] [ 4.0418 4.10114 1.35651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.13222e-12 6.58783e-12 -1.48119e-12 ] [ 1.29496e-10 1.3028e-10 1.25678e-10 ] [ 7.31236e-13 2.63688e-10 2.91411e-10 ] [ 1.38293e-10 3.97853e-10 4.11798e-10 ] [ 2.91023e-10 -2.59257e-14 2.64672e-10 ] [ 4.15592e-10 1.24599e-10 4.16086e-10 ] [ 2.63613e-10 2.74458e-10 -9.27687e-13 ] [ 4.0418e-10 4.10114e-10 1.35651e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3120537 -1.5610822 1.0448549 ] [ 1.0261131 1.2591794 2.5323711 ] [ 0.083757 -0.3097448 -2.3253063 ] [ 0.9352976 0.4771355 -0.8182791 ] [ -3.4354899 1.5384757 1.5040046 ] [ -0.6567866 0.8230558 -1.2562858 ] [ 0.216721 0.0873976 0.9921525 ] [ 2.1424415 -2.3144169 -1.673512 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.99965142574137e-10 -2.501129403987029e-09 1.674042092908322e-09 ] [ 1.644014419116612e-09 2.017427796072972e-09 4.057305771609579e-09 ] [ 1.341935072283456e-10 -4.962658769743719e-10 -3.725551390058951e-09 ] [ 1.49851194821035e-09 7.644553430537184e-10 -1.311027643309265e-09 ] [ -5.50426159877453e-09 2.464909798208914e-09 2.409681007695656e-09 ] [ -1.052288135374721e-09 1.318680760373841e-09 -2.012791737803024e-09 ] [ 3.472253194363968e-10 1.400263914340301e-10 1.589603539768272e-09 ] [ 3.432569682731683e-09 -3.708104647964411e-09 -2.68126180102825e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.198463 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.479197788589383e-18 } }