{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5454947 0.7962457 0.42404979999999987 ] [ -0.701426 -0.1236225 -0.9870226999999998 ] [ -0.8585861 0.6061268 0.34989789999999993 ] [ 0.4667835 -0.1611192 -0.4586920999999999 ] [ 0.4420334 -0.8940574 0.7671102999999998 ] [ 0.3234597 0.1628036 1.2138297999999998 ] [ -0.6618758 -0.8766724 -1.2820426999999999 ] [ 1.535106 0.4902955 -0.027130299999999993 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.739788551103098e-10 1.27572624495253e-09 6.794026756149156e-10 ] [ -1.123808338421261e-09 -1.98065079304848e-10 -1.581384694138892e-09 ] [ -1.375606576363851e-09 9.711221882003173e-10 5.605982350470162e-10 ] [ 7.478696106751969e-10 -2.581414154019994e-10 -7.349057587656555e-10 ] [ 7.082155790927348e-10 -1.432437863933234e-09 1.229046188234874e-09 ] [ 5.182395691109818e-10 2.608401217020749e-10 1.94476972719034e-09 ] [ -1.060441932633297e-09 -1.404584023380626e-09 -2.054058840807308e-09 ] [ 2.459510943649805e-09 7.855399873834464e-10 -4.346753237529023e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 625.70788 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.002494536786332e-16 } }