{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.917482 -0.1854217 0.3339439 ] [ 0.5987015 -0.5395573 -0.4509752 ] [ -0.1179926 -0.0595249 1.4984587 ] [ -1.0211385 -1.1636556 1.2295974 ] [ 0.955442 1.579283 -0.2088687 ] [ -0.6384101 0.3240364 -0.1619421 ] [ 0.3278294 -0.2670679 -1.1394645 ] [ 0.8130502 0.3119079 -1.1007496 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.469968210404826e-09 -2.970783127289914e-10 5.350371092387732e-10 ] [ 9.592255461378913e-10 -8.644660916419719e-10 -7.225419220006042e-10 ] [ -1.890449851474061e-10 -9.536940313545791e-11 2.400795496374361e-09 ] [ -1.636044231298781e-09 -1.864381796982997e-09 1.970032207276466e-09 ] [ 1.530786834930394e-09 2.530290300226887e-09 -3.34644547956889e-10 ] [ -1.02284573670259e-09 5.191635443681971e-10 -2.594598465432557e-10 ] [ 5.252406002908915e-10 -4.278899455461524e-10 -1.825623382131562e-09 ] [ 1.302650021976764e-09 4.997315452228244e-10 -1.763595274474952e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.341941 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.739791215429297e-18 } }