{ "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" [ 5.31945 0 0 ] "si-unit" "m" "si-value" [ 5.31945e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00383334 5.41695 0 ] "si-unit" "m" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0189848 -0.118491 5.47074 ] "si-unit" "m" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2907189 1.2328855 -0.1297258 ] [ -1.5026994 0.4274003 -0.7883688 ] [ 7.831806 7.7299726 -0.474144 ] [ -4.4794431 -4.3808654 -3.2241475 ] [ -0.6502755 0.3151674 -0.1821931 ] [ -4.1518738 -3.1700411 4.8091336 ] [ 0.2299917 -1.0909193 0.2745362 ] [ 1.4317752 -1.0635999 -0.2850907 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.067959662642182e-09 1.975300340497407e-09 -2.078436455869572e-10 ] [ -2.407589866605819e-09 6.847707740245901e-10 -1.263106070334619e-09 ] [ 1.2547936575221e-08 1.238478148118023e-08 -7.59662437951296e-10 ] [ -7.176859068152525e-09 -7.018920180579063e-09 -5.165653789069515e-09 ] [ -1.041856211762667e-09 5.049538440785315e-10 -2.919055276960254e-10 ] [ -6.652035189676788e-09 -5.078965779239657e-09 7.705081483704302e-09 ] [ 3.684873277539378e-10 -1.747845412039636e-09 4.398554848271508e-10 ] [ 2.293956770580676e-09 -1.704074907704737e-09 -4.567656581107037e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.149721 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.631606167781911e-18 } }