{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43182e-10 0.0 0.0 ] "source-value" [ 5.43182 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] "source-value" [ -0.00436542 5.42411 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] "source-value" [ 0.250705 -0.013062 5.36378 ] } "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" [ [ -3.506365937885731e-09 1.002241104488454e-09 -2.457769698098319e-09 ] [ 4.181543193098612e-10 -2.1487191205704e-09 5.518886907839841e-09 ] [ -7.031389222520678e-10 8.232904729227359e-10 -3.105552777231099e-09 ] [ 3.362302221584947e-09 -1.614417250182912e-11 -1.891960383592151e-09 ] [ -1.997702758823655e-10 8.105329813619539e-10 7.924694012684064e-10 ] [ -3.744700605030752e-09 -2.241183777492348e-09 3.119929588702523e-09 ] [ 4.247168347486579e-10 -6.501490133487149e-10 -7.899682433456755e-09 ] [ 3.948802365407451e-09 2.420131525140148e-09 5.923679394567554e-09 ] ] "source-value" [ [ -2.1885015 0.6255497 -1.5340192 ] [ 0.2609914 -1.341125 3.4446183 ] [ -0.4388648 0.5138575 -1.9383336 ] [ 2.098584 -0.0100764 -1.1808688 ] [ -0.1246868 0.5058949 0.4946205 ] [ -2.3372583 -1.3988369 1.9473069 ] [ 0.2650874 -0.4057911 -4.930594 ] [ 2.4646486 1.5105273 3.6972699 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.333598225779901e-18 "source-value" -33.289702 } }