{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.35945780000000005 -0.07708260000000001 -0.6209083000000001 ] [ -1.5684440000000004 -0.7999215000000002 0.9618019000000002 ] [ 0.4921100000000001 -1.4105613000000001 -0.13548020000000002 ] [ -1.1158323000000003 -0.9682865000000003 1.7708216000000006 ] [ 0.6915744000000001 1.1122023000000003 -1.3680477000000002 ] [ -0.016744600000000002 1.1582739000000002 1.6965391000000005 ] [ 1.3900582000000001 0.6247279000000001 -0.9965658000000002 ] [ -0.23217960000000007 0.3606478000000001 -1.3081605000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.759148833242023e-10 -1.234999395904781e-10 -9.948047619206729e-10 ] [ -2.512924307834036e-09 -1.281615525775267e-09 1.54097651802102e-09 ] [ 7.884471368618882e-10 -2.259968337065255e-09 -2.170632090213082e-10 ] [ -1.787760423793492e-09 -1.55136599253626e-09 2.83716896712765e-09 ] [ 1.108024335223788e-09 1.781944522659989e-09 -2.191854041079212e-09 ] [ -2.682780664464768e-11 1.855759363062837e-09 2.718155282293074e-09 ] [ 2.227118749591331e-09 1.00092443574148e-09 -1.596674425848849e-09 ] [ -3.719927269466958e-10 5.778214735029543e-10 -2.095904169354039e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.438417 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.838077981636128e-18 } }