{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1837936 -3.9318696 3.3590804 ] [ 3.70204 2.9478643 2.7995008 ] [ -2.4352303 -1.0556462 -6.1827934 ] [ 1.6469761 7.3113801 -3.3799946 ] [ -1.6721869 1.8900954 -0.6469397 ] [ -2.6003926 -0.2643458 -6.8471813 ] [ 0.5226152 -5.1615302 7.7414481 ] [ -0.3476151 -1.7359481 3.1568798 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.896646429772667e-09 -6.299549549154248e-09 5.381840084267512e-09 ] [ 5.931321937266432e-09 4.722999262750958e-09 4.485294731670897e-09 ] [ -3.90166905292377e-09 -1.691331661476361e-09 -9.905927036716545e-09 ] [ 2.638746602436363e-09 1.171412226200237e-08 -5.415348326550247e-09 ] [ -2.679138756788028e-09 3.028266660961624e-09 -1.036511662407366e-09 ] [ -4.166288228621326e-09 -4.235286605666727e-10 -1.097039379723895e-08 ] [ 8.37321855114716e-10 -8.269683013993149e-09 1.240316715695658e-08 ] [ -5.569407862570541e-10 -2.781295460742181e-09 5.05787901023578e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.54453 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.971161240972423e-18 } }