{ "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" [ 5.43593 0 0 ] "si-unit" "m" "si-value" [ 5.43593e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00214695 5.43123 0 ] "si-unit" "m" "si-value" [ 2.14695e-13 5.43123e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0452237 0.0446124 5.47348 ] "si-unit" "m" "si-value" [ -4.52237e-12 4.461240000000001e-12 5.473480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0488145 -0.0723712 0.108622 ] [ 1.36095 1.35641 1.2952 ] [ -0.00863748 2.68477 2.74572 ] [ 1.30162 4.04466 3.93872 ] [ 2.7765 -0.0432881 2.8136 ] [ 4.0674 1.36091 4.19847 ] [ 2.70508 2.80909 0.166723 ] [ 4.1715 4.08924 1.48814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.88145e-12 -7.23712e-12 1.08622e-11 ] [ 1.36095e-10 1.35641e-10 1.2952e-10 ] [ -8.63748e-13 2.68477e-10 2.74572e-10 ] [ 1.30162e-10 4.044660000000001e-10 3.93872e-10 ] [ 2.7765e-10 -4.328810000000001e-12 2.8136e-10 ] [ 4.0674e-10 1.36091e-10 4.19847e-10 ] [ 2.70508e-10 2.80909e-10 1.66723e-11 ] [ 4.1715e-10 4.089240000000001e-10 1.48814e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0332343 0.6929769 -2.3505684 ] [ -0.289208 -1.044805 2.2373498 ] [ -0.5284074 -2.5726228 -0.3482119 ] [ 1.0424442 1.2220716 4.2063495 ] [ -0.5043793 1.44232 -0.9860697 ] [ -0.4783003 0.9289865 0.0014854 ] [ 0.8559222 0.0960437 -2.6269296 ] [ -2.1313057 -0.7649708 -0.1334052 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.257600486907347e-09 1.110271397081755e-09 -3.766025767098765e-09 ] [ -4.63362299965872e-10 -1.67396215808637e-09 3.584629571644573e-09 ] [ -8.466019895126915e-10 -4.121796138255655e-09 -5.578969698607446e-10 ] [ 1.670179739488823e-09 1.957974562594994e-09 6.739314883337583e-09 ] [ -8.081047291332761e-10 2.310851402750879e-09 -1.57985783283539e-09 ] [ -7.663215646951901e-10 1.488400463601441e-09 2.3798731721436e-12 ] [ 1.371338549361875e-09 1.538789719829058e-10 -4.208805224282966e-09 ] [ -3.414728192451013e-09 -1.225618341452287e-09 -2.137386942940968e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.750782154090041e-18 } }