{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47042e-10 0.0 0.0 ] "source-value" [ 5.47042 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.46058e-12 5.3888e-10 0.0 ] "source-value" [ 0.0146058 5.3888 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.34413e-11 -1.03851e-11 5.39218e-10 ] "source-value" [ 0.134413 -0.103851 5.39218 ] } "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" [ [ -3.794176940604691e-10 -1.513414594048721e-09 9.162840083472095e-10 ] [ 1.321535999329768e-09 1.147541380705171e-09 3.220658593069882e-09 ] [ -6.430151617269408e-10 3.79389335534281e-10 -3.839565642965982e-09 ] [ 2.185427069782535e-09 1.3020211676531e-09 -1.781178041364597e-09 ] [ -4.73309089263239e-09 1.215012082342639e-09 1.947193660199949e-09 ] [ -7.428336491206983e-10 7.030485594906547e-10 -9.071025750040532e-10 ] [ 4.123377773057088e-11 1.237106258161133e-10 9.9406663915147e-10 ] [ 2.950160550697625e-09 -3.357308557493238e-09 -5.503566414338765e-10 ] ] "source-value" [ [ -0.2368139 -0.9445991 0.5718995 ] [ 0.8248379 0.716239 2.010177 ] [ -0.4013385 0.2367962 -2.3964684 ] [ 1.3640363 0.8126577 -1.1117239 ] [ -2.954163 0.7583509 1.2153427 ] [ -0.4636403 0.4388084 -0.5661689 ] [ 0.0257361 0.0772141 0.6204476 ] [ 1.8413454 -2.0954672 -0.3435056 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -8.13222e-12 6.58783e-12 -1.48119e-12 ] [ 1.29496e-10 1.3028e-10 1.25678e-10 ] [ 7.31236e-13 2.63688e-10 2.91411e-10 ] [ 1.38293e-10 3.97853e-10 4.11798e-10 ] [ 2.91023e-10 -2.59257e-14 2.64672e-10 ] [ 4.15592e-10 1.24599e-10 4.16086e-10 ] [ 2.63613e-10 2.74458e-10 -9.27687e-13 ] [ 4.0418e-10 4.10114e-10 1.35651e-10 ] ] "source-value" [ [ -0.0813222 0.0658783 -0.0148119 ] [ 1.29496 1.3028 1.25678 ] [ 0.00731236 2.63688 2.91411 ] [ 1.38293 3.97853 4.11798 ] [ 2.91023 -0.000259257 2.64672 ] [ 4.15592 1.24599 4.16086 ] [ 2.63613 2.74458 -0.00927687 ] [ 4.0418 4.10114 1.35651 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.602990105244436e-18 "source-value" -41.212623 } }