{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.52526e-10 0.0 0.0 ] "source-value" [ 5.52526 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] "source-value" [ 0.163004 5.51064 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] "source-value" [ 0.0929221 -0.0543858 5.47616 ] } "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" [ [ -2.200686039701372e-09 4.761539140711315e-10 -3.467187111888999e-10 ] [ -1.158780329264759e-09 6.781084373406336e-10 -2.363376020524929e-09 ] [ -1.457735912340342e-09 2.16952658834473e-10 -3.981682874890157e-10 ] [ 1.528044228990908e-09 2.376423666271738e-10 6.402321809366113e-10 ] [ -5.179313103291399e-10 -2.660255022482292e-09 8.793362132949409e-10 ] [ 1.318646634011818e-09 1.273045322812946e-09 2.786030213091969e-09 ] [ -1.334374881462887e-09 -2.728203973841069e-09 -3.879551645544274e-09 ] [ 3.822817610095774e-09 2.506556136419342e-09 2.682216057423598e-09 ] ] "source-value" [ [ -1.3735602 0.2971919 -0.21640479999999995 ] [ -0.7232538 0.423242 -1.4751032999999998 ] [ -0.9098472 0.1354112 -0.24851709999999994 ] [ 0.9537302 0.1483247 0.3996014999999999 ] [ -0.3232673 -1.6604006 0.5488384999999999 ] [ 0.8230345 0.7945724 1.7389032999999996 ] [ -0.8328513 -1.702811 -2.4214256999999995 ] [ 2.3860151 1.5644693 1.6741075999999995 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.747209573281482e-18 "source-value" -35.871261 } }