{ "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" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4390662 0.6285925 -0.2690421 ] [ -0.503604 1.1183894 -1.1987435 ] [ 0.123503 -0.0074746 0.7472629 ] [ 0.1131367 -0.51054 -0.4929832 ] [ 0.63931 0.5137279 2.9949721 ] [ -1.2679398 0.4387202 -0.6207574 ] [ -0.6089896 -0.9614037 -1.1413843 ] [ 1.0655175 -1.2200118 -0.0193244 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.03461600623497e-10 1.007116207510224e-09 -4.310529626309356e-10 ] [ -8.068625549413633e-10 1.79185734963054e-09 -1.920598810035965e-09 ] [ 1.978736191986624e-10 -1.197562936983168e-11 1.197247147971208e-09 ] [ 1.812649756944634e-10 -8.17975251983232e-10 -7.898461574871705e-10 ] [ 1.024287535443648e-09 8.230828308326803e-10 4.79847427856828e-09 ] [ -2.031463504141828e-09 7.029072475127001e-10 -9.94562993468594e-10 ] [ -9.757088994303437e-10 -1.540338531290617e-09 -1.828699240808173e-09 ] [ 1.707147227553264e-09 -1.954674383060126e-09 -3.096110189098752e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -36.437853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.837987618874714e-18 } }