{ "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" [ [ -1.525624 0.5484794 -0.7024495 ] [ 0.0651519 -0.9992526 2.0689388 ] [ -0.3367319 0.730715 -1.4620322 ] [ 1.4111158 -0.1581507 -0.8171607 ] [ -0.070897 0.5097053 0.4853588 ] [ -1.6961818 -1.0695985 1.3411321 ] [ 0.3275499 -0.3256499 -3.083547 ] [ 1.8256172 0.7637519 2.1697597 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.444319125069616e-09 8.787608789103393e-10 -1.125448175464983e-09 ] [ 1.043848518407046e-10 -1.600979167183748e-09 3.314805402536e-09 ] [ -5.395039821024245e-10 1.17073449911331e-09 -2.342433828995615e-09 ] [ 2.260856762628217e-09 -2.533853561907438e-10 -1.309235779763084e-09 ] [ -1.13589516820698e-10 8.166379218859602e-10 7.77630528466279e-10 ] [ -2.717582846976061e-09 -1.713685724461449e-09 2.148730513727351e-09 ] [ 5.247927962490366e-10 -5.217486606444366e-10 -4.940386953240797e-09 ] [ 2.924961220468505e-09 1.223665448353104e-09 3.47633829273485e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.85355729230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.584155510550894e-18 } }