{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7940643 0.8168239 -0.1346364 ] [ -0.5104268 -1.407029 2.387567 ] [ 0.1563828 1.3124514 -1.6744972 ] [ 1.6315486 -0.6409925 -0.9666764 ] [ -0.1985887 0.5806016 0.515961 ] [ -1.6541307 -1.5526522 1.412584 ] [ 0.1617351 -0.2276696 -3.5948812 ] [ 2.2075441 1.1184664 2.0545792 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.874407901353566e-09 1.308696166672753e-09 -2.157112941658776e-10 ] [ -8.17793892327391e-10 -2.254308987160386e-09 3.825304059509478e-09 ] [ 2.505528681194952e-10 2.102778966340588e-09 -2.682840287538424e-09 ] [ 2.614029044155412e-09 -1.026983206069245e-09 -1.548786340719237e-09 ] [ -3.181741749164358e-10 9.302263171830144e-10 8.26660658255274e-10 ] [ -2.650209557122063e-09 -2.487623075568695e-09 2.263209078362256e-09 ] [ 2.591281981176534e-10 -3.647669133921264e-10 -5.759634660645881e-09 ] [ 3.536875575544558e-09 1.791980731994097e-09 3.291798786942412e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.045146 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.775069069031856e-18 } }