{ "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" [ [ -1.18394844114792e-09 -3.47404042238447e-09 1.327938777759472e-09 ] [ 2.558224409828196e-09 2.023058645806773e-09 3.023241433990485e-09 ] [ -7.246287570491962e-10 -7.741207939540186e-10 -3.171556846389886e-09 ] [ 2.356875188886032e-09 1.31106112880064e-09 -2.157688105293638e-10 ] [ -9.001316807663808e-09 8.222730587249956e-09 8.47823642211074e-09 ] [ -2.408077549333559e-09 1.429664335984967e-09 -1.497796416131501e-09 ] [ 6.433878280089389e-10 -9.810255623288065e-11 1.023166492462074e-09 ] [ 7.759484128471314e-09 -8.640250925270967e-09 -8.967461213489681e-09 ] ] "source-value" [ [ -0.7389625 -2.1683255 0.8288342 ] [ 1.5967181 1.2626939 1.8869589 ] [ -0.4522777 -0.4831682 -1.9795301 ] [ 1.4710458 0.8183 -0.1346723 ] [ -5.6181801 5.1322248 5.291699 ] [ -1.5030038 0.8923263 -0.934851 ] [ 0.4015711 -0.0612308 0.6386103 ] [ 4.8430891 -5.3928205 -5.5970491 ] ] } "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" -1.009141983607797e-17 "source-value" -62.985689 } }