{ "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" [ [ 1.8330534 0.4959643 -2.330402 ] [ 0.0051807 -0.7389115 2.3476446 ] [ 0.0223896 -1.5840776 -0.4105787 ] [ 0.6900159 0.8223045 3.8173709 ] [ -0.568715 1.3588819 -1.2180793 ] [ -0.6897933 0.6961397 0.4292014 ] [ 0.6293487 -0.5000982 -2.5974229 ] [ -1.9214799 -0.5502031 -0.037734 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.936875326354255e-09 7.946224127581661e-10 -3.733715632226867e-09 ] [ 8.300396487763799e-12 -1.183866739893891e-09 3.761341323056277e-09 ] [ 3.58720939646064e-11 -2.537972117162798e-09 -6.578195995580957e-10 ] [ 1.105527352068481e-09 1.317477055933053e-09 6.11610245929155e-09 ] [ -9.111818844053098e-10 2.177168828545524e-09 -1.951578192819076e-09 ] [ -1.105170707549752e-09 1.11533876133977e-09 6.876564543600875e-10 ] [ 1.008327781778276e-09 -8.012456507454587e-10 -4.161530278996518e-09 ] [ -3.078550198480657e-09 -8.815225507743653e-10 -6.0456533107356e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -35.90456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.752544708605103e-18 } }