{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1590058 0.8775504 1.5042216 ] [ -2.547818 3.4353458 -6.4232643 ] [ -3.5214846 0.5777271 -0.6221528 ] [ 5.5672244 1.2732782 0.1018836 ] [ 2.0758875 -6.8754814 4.9107798 ] [ 0.1709235 1.6132479 2.3935601 ] [ -1.4155823 -1.4324402 -2.3355196 ] [ 1.8298554 0.5307721 0.4704914 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.459108645430477e-09 1.405990746037353e-09 2.410028699878094e-09 ] [ -4.082054467284611e-09 5.504030770470037e-09 -1.029120397546637e-08 ] [ -5.642040343110836e-09 9.256208604485813e-10 -9.96798678937675e-10 ] [ 8.919676849914668e-09 2.040016580621578e-09 1.632355233078024e-10 ] [ 3.325938447312674e-09 -1.101573564658161e-08 7.867936650279194e-09 ] [ 2.73849637901499e-10 2.584708090229569e-09 3.834906064294703e-09 ] [ -2.268012884563978e-09 -2.295022218042287e-09 -3.741914931369026e-09 ] [ 2.931751565478723e-09 8.503906565991113e-10 7.538103275779475e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.3448 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.66286126934032e-18 } }