{ "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" [ 5.47042 0 0 ] "si-unit" "m" "si-value" [ 5.47042e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0146058 5.3888 0 ] "si-unit" "m" "si-value" [ 1.46058e-12 5.3888e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.134413 -0.103851 5.39218 ] "si-unit" "m" "si-value" [ 1.34413e-11 -1.03851e-11 5.39218e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1472895 -0.607754 0.5110761 ] [ 0.330607 0.3967008 1.7405726 ] [ 0.0372062 0.2853997 -1.7604812 ] [ 1.1222786 0.6841332 -1.3406723 ] [ -1.9126657 0.8489217 0.5858301 ] [ -0.8889487 0.169395 -0.368713 ] [ -0.0320025 0.4244338 0.636263 ] [ 1.1962356 -2.2012301 -0.0038753 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.359837933893216e-10 -9.737292499976834e-10 8.18834178869643e-10 ] [ 5.296908060728256e-10 6.355847472126567e-10 2.78870472652507e-09 ] [ 5.961090378880897e-11 4.572607269233337e-10 -2.820601819997929e-09 ] [ 1.798088534944155e-09 1.096102218553091e-09 -2.147993815214164e-09 ] [ -3.064428267946067e-09 1.360122500629791e-09 9.38603289980926e-10 ] [ -1.424252824230553e-09 2.71400708680416e-10 -5.907433483850305e-10 ] [ -5.127365730715201e-11 6.800179114373031e-10 1.019405703280071e-09 ] [ 1.916580711288661e-09 -3.526759403221246e-09 -6.20891505858624e-12 ] ] } "unrelaxed-potential-energy" { "source-value" 154.86857 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.481268021507283e-17 } }