{ "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" [ [ 4.7547655 -4.850676 2.6917674 ] [ -0.3295758 4.8118065 9.2738593 ] [ 1.6313084 -0.9443474 -4.5780644 ] [ -2.5518124 -0.5030587 -5.8248148 ] [ 3.5374849 0.8521609 0.4654925 ] [ -6.8181614 3.4185431 -4.7511058 ] [ 3.6065497 1.7868973 1.3136529 ] [ -3.830559 -4.5713256 1.4092129 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.617974184249327e-09 -7.771639746304584e-09 4.312686832442931e-09 ] [ -5.280386458918571e-10 7.70936394162932e-09 1.48583606774636e-08 ] [ 2.613644201327925e-09 -1.513011338658651e-09 -7.334867810627229e-09 ] [ -4.088454201631462e-09 -8.059888946704156e-10 -9.332382169937383e-09 ] [ 5.667675649907826e-09 1.36531228238841e-09 7.458012068022448e-10 ] [ -1.092389888192073e-08 5.477109877141925e-09 -7.612110698421876e-09 ] [ 5.77832965869971e-09 2.862925101417688e-09 2.104703981566338e-09 ] [ -6.137232124958406e-09 -7.324071062726029e-09 2.257807980711378e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -331.25556 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.30729918114585e-17 } }