{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.3552039 -4.4859721 1.2925173 ] [ -0.1511297 1.8312329 4.2383578 ] [ 2.1112741 0.545767 -1.5319779 ] [ -1.8898531 -0.110059 -1.7483405 ] [ 1.3614063 0.8578281 -0.3499611 ] [ -5.9941559 3.0448382 -4.3829467 ] [ 3.4146042 0.3637383 0.8916344 ] [ -2.2073499 -2.0473734 1.5907167 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.375629290885671e-09 -7.18731967939591e-09 2.070841017100768e-09 ] [ -2.421364740434298e-10 2.933958563792058e-09 6.790597833691645e-09 ] [ 3.382634030989379e-09 8.744151350082779e-10 -2.454499195184388e-09 ] [ -3.027878478512465e-09 -1.76333958161406e-10 -2.801150297375877e-09 ] [ 2.181213363240394e-09 1.374392137808615e-09 -5.606994972289374e-10 ] [ -9.60369652353324e-09 4.878368618350619e-09 -7.022254790807406e-09 ] [ 5.470799063598262e-09 5.827730051508821e-10 1.42855580175061e-09 ] [ -3.536564432842237e-09 -3.280253822553135e-09 2.548609128053588e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.45887607419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.598308647196913e-18 } }