{ "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" [ 5.39854 0 0 ] "si-unit" "m" "si-value" [ 5.39854e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0197648 5.43736 0 ] "si-unit" "m" "si-value" [ 1.97648e-12 5.43736e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0299081 -0.213673 5.1785 ] "si-unit" "m" "si-value" [ -2.99081e-12 -2.13673e-11 5.1785e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.157946 -0.285755 0.37808 ] [ 1.35651 1.53389 1.4884 ] [ 0.00292057 2.68505 2.57873 ] [ 1.38402 4.09726 4.02157 ] [ 2.45639 0.443756 2.59681 ] [ 4.09137 1.38211 4.21726 ] [ 2.67291 2.94824 -0.16912 ] [ 4.08439 3.99712 1.2513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.57946e-11 -2.85755e-11 3.780800000000001e-11 ] [ 1.35651e-10 1.53389e-10 1.4884e-10 ] [ 2.92057e-13 2.68505e-10 2.57873e-10 ] [ 1.38402e-10 4.097260000000001e-10 4.02157e-10 ] [ 2.45639e-10 4.43756e-11 2.59681e-10 ] [ 4.091370000000001e-10 1.38211e-10 4.21726e-10 ] [ 2.67291e-10 2.94824e-10 -1.6912e-11 ] [ 4.08439e-10 3.99712e-10 1.2513e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1811586 4.7027542 -0.9628893 ] [ -1.8274829 1.8944847 -6.0727586 ] [ -1.3739256 1.2441894 2.9944841 ] [ -0.6879694 0.8265649 -3.759368 ] [ 5.0096504 -5.7056762 4.2940605 ] [ 1.5606217 -1.8424193 -2.2547174 ] [ -0.3114049 -1.4534354 3.5051546 ] [ -2.5506481 0.3335378 2.2560341 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.902480735768589e-10 7.534642832609008e-09 -1.542718724878477e-09 ] [ -2.927950377291784e-09 3.035299094803302e-09 -9.729631852682139e-09 ] [ -2.201271475038613e-09 1.99341116852718e-09 4.79769241637733e-09 ] [ -1.102248488505803e-09 1.32430295835389e-09 -6.023171518583654e-09 ] [ 8.026344749261369e-09 -9.141501013494987e-09 6.879843341400758e-09 ] [ 2.500391601653151e-09 -2.951881128170701e-09 -3.612455504790962e-09 ] [ -4.989256503825618e-10 -2.328660217723097e-09 5.615876752409576e-09 ] [ -4.086588753707941e-09 5.343864653130663e-10 3.614565090747569e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.270593 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.568142343595214e-18 } }