{ "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" [ 5.46308 0 0 ] "si-unit" "m" "si-value" [ 5.46308e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0404011 5.38219 0 ] "si-unit" "m" "si-value" [ -4.04011e-12 5.38219e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0107061 -0.144189 5.56456 ] "si-unit" "m" "si-value" [ 1.07061e-12 -1.44189e-11 5.56456e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0957934 0.00987827 -0.0909378 ] [ 1.38627 1.24986 1.3117 ] [ -0.0751597 2.80438 2.76133 ] [ 1.36904 3.93592 4.18176 ] [ 2.71956 -0.067532 2.7564 ] [ 4.08015 1.26891 4.08099 ] [ 2.56948 2.74723 0.13466 ] [ 4.07358 4.09238 1.48906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.579340000000001e-12 9.87827e-13 -9.09378e-12 ] [ 1.38627e-10 1.24986e-10 1.3117e-10 ] [ -7.51597e-12 2.80438e-10 2.76133e-10 ] [ 1.36904e-10 3.93592e-10 4.18176e-10 ] [ 2.71956e-10 -6.7532e-12 2.7564e-10 ] [ 4.08015e-10 1.26891e-10 4.08099e-10 ] [ 2.56948e-10 2.74723e-10 1.3466e-11 ] [ 4.07358e-10 4.092380000000001e-10 1.48906e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4799051 0.0995843 0.5383624 ] [ -1.7832656 0.2392927 1.4847485 ] [ 1.1136193 -2.5433882 0.1841501 ] [ -0.3141917 0.5725113 0.0949387 ] [ -0.8289632 0.6058797 0.5823965 ] [ -0.4203299 1.031621 1.0414123 ] [ 2.2541354 0.2558889 -1.6959891 ] [ -0.5009094 -0.2613898 -2.2300194 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.68892731422686e-10 1.595516372587334e-10 8.62551650797778e-10 ] [ -2.857106452996884e-09 3.833891694681082e-10 2.378829334467869e-09 ] [ 1.784214806931662e-09 -4.074957111658594e-09 2.950409849379821e-10 ] [ -5.033905961894074e-10 9.172642200038149e-10 1.52108565549145e-10 ] [ -1.328145458543555e-09 9.707262903573177e-10 9.331020563357471e-10 ] [ -6.734427388032019e-10 1.652839047726317e-09 1.668526439673556e-09 ] [ 3.611523037997657e-09 4.099792131022291e-10 -2.717274085151633e-09 ] [ -8.025453298189556e-10 -4.187926264755879e-10 -3.572884946610444e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.149659 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.791813849969231e-18 } }