{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43079e-10 0.0 0.0 ] "source-value" [ 5.43079 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] "source-value" [ -0.0839771 5.43297 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] "source-value" [ 0.0398452 0.0785902 5.46584 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.853056150499502e-09 2.494474122521889e-09 -5.366354726792157e-09 ] [ -1.677460016293474e-09 5.890179643820909e-10 1.270715758006303e-09 ] [ -9.044030676156671e-10 -1.359955874261228e-09 -3.371247494094198e-09 ] [ -3.440656348789847e-09 -2.46979451429041e-09 7.757350029212408e-09 ] [ 7.533367179583528e-09 3.785525026634709e-09 -4.703749751522694e-09 ] [ -6.802760220909139e-10 -3.689580762527709e-09 -1.33307183121719e-10 ] [ -1.304777392093862e-10 2.064015246981946e-09 -1.385740183272749e-10 ] [ -3.553149815648415e-09 -1.413701049223626e-09 4.685167546856993e-09 ] ] "source-value" [ [ 1.7807376 1.5569283 -3.3494152 ] [ -1.0469882 0.3676361 0.7931184 ] [ -0.564484 -0.8488177 -2.1041672 ] [ -2.1474888 -1.5415245 4.8417571 ] [ 4.701958 2.3627389 -2.9358497 ] [ -0.4245949 -2.3028552 -0.0832038 ] [ -0.0814378 1.288257 -0.0864911 ] [ -2.2177017 -0.8823628 2.9242516 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.690788923580012e-18 "source-value" -35.519111 } }