{ "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" [ 5.41394 0 0 ] "si-unit" "m" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0321649 5.43167 0 ] "si-unit" "m" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.034689 -0.0250046 5.52467 ] "si-unit" "m" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0104706 0.0216981 0.0176006 ] [ 1.39448 1.38403 1.49781 ] [ 0.0179868 2.6904 2.7801 ] [ 1.33759 4.02716 4.17727 ] [ 2.6683 -0.0231463 2.83015 ] [ 4.02805 1.42643 4.22871 ] [ 2.71964 2.8128 -0.0574889 ] [ 4.09713 4.0529 1.34951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04706e-12 2.16981e-12 1.76006e-12 ] [ 1.39448e-10 1.38403e-10 1.49781e-10 ] [ 1.79868e-12 2.6904e-10 2.7801e-10 ] [ 1.33759e-10 4.02716e-10 4.17727e-10 ] [ 2.6683e-10 -2.31463e-12 2.83015e-10 ] [ 4.02805e-10 1.42643e-10 4.228710000000001e-10 ] [ 2.71964e-10 2.8128e-10 -5.74889e-12 ] [ 4.09713e-10 4.052900000000001e-10 1.34951e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.465072 0.3259621 0.479651 ] [ 0.0682522 -0.1910584 -1.4872886 ] [ -0.5639488 0.2547461 0.2208256 ] [ -0.6176125 0.9401519 -0.579219 ] [ 0.7813445 -0.0650289 0.0246842 ] [ 0.2117984 -0.8521229 -0.8898432 ] [ -0.1601353 -0.8990246 1.622521 ] [ -0.1847706 0.4863747 0.608669 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.451274853886976e-10 5.222488558868716e-10 7.684856183433408e-10 ] [ 1.093520791581658e-10 -3.061093016874547e-10 -2.382899023302363e-09 ] [ -9.035455826882152e-10 4.081482456599788e-10 3.538016135941325e-10 ] [ -9.8952430821384e-10 1.5062893941807e-09 -9.280111401231553e-10 ] [ 1.251851890690666e-09 -1.041877832563411e-10 3.954844814315136e-11 ] [ 3.393384448028467e-10 -1.365251388428296e-09 -1.425685971217858e-09 ] [ -2.565650338247942e-10 -1.440396195644072e-09 2.599565212957037e-09 ] [ -2.960351355311885e-10 7.792581732886138e-10 9.751952416057151e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.79361603877592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.850851561681869e-18 } }