{ "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" [ [ 1.384496317431424e-08 -8.642941941123262e-09 -6.621824492510251e-09 ] [ -3.997997679202102e-09 7.482218171617473e-09 -5.337739531909344e-10 ] [ 9.411396156804836e-09 -6.111929219458058e-09 8.004140503909026e-09 ] [ -1.646280217293748e-08 -2.146966339347245e-10 6.356288711567935e-09 ] [ 9.279359659961074e-09 2.707402594337898e-09 -1.073946999805344e-09 ] [ 7.95999316799353e-10 9.044133215460403e-10 -1.552103858957202e-08 ] [ -1.059452444374057e-08 -4.530330314304963e-09 1.791570560015416e-09 ] [ -2.276394172217021e-09 8.405864341754922e-09 7.598584259586178e-09 ] ] "source-value" [ [ 8.6413464 -5.3945001 -4.133017799999999 ] [ -2.4953539 4.6700333 -0.33315549999999994 ] [ 5.8741315 -3.8147662 4.9957915999999996 ] [ -10.275273 -0.1340031 3.967283399999999 ] [ 5.7917208 1.6898278 -0.6703049999999999 ] [ 0.4968237 0.5644904 -9.687470399999999 ] [ -6.6125821 -2.8276098 1.1182103999999997 ] [ -1.4208135 5.2465279 4.742663299999999 ] ] } "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" -2.25507208531209e-18 "source-value" -14.075053 } }