{ "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" [ [ 0.24828780000000006 -0.033280500000000005 -0.5538981000000001 ] [ -1.3607944000000003 -0.6151760000000001 0.7092022000000001 ] [ 0.32514360000000003 -1.1769390000000002 -0.22343020000000005 ] [ -0.9349598000000002 -0.7679318000000003 1.5219113000000004 ] [ 0.5789086000000001 0.9094538000000002 -1.0872222000000002 ] [ 0.11653890000000003 0.9808311000000002 1.5086748000000005 ] [ 1.2084183000000002 0.4425978000000001 -0.8746282000000002 ] [ -0.18154310000000004 0.2604445000000001 -1.0006096000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.978009083898663e-10 -5.332123902853441e-11 -8.874425861255405e-10 ] [ -2.180232973395564e-09 -9.85620604877261e-10 1.136267184259926e-09 ] [ 5.20937474322747e-10 -1.885664149907732e-09 -3.579746428206683e-10 ] [ -1.497970732947844e-09 -1.230362376328862e-09 2.438370703791336e-09 ] [ 9.275138245000591e-10 1.457105616057719e-09 -1.741921990454742e-09 ] [ 1.867159009937492e-10 1.571464657373547e-09 2.417163492950117e-09 ] [ 1.936099548406881e-09 7.091198475775144e-10 -1.401308853932387e-09 ] [ -2.908641104875566e-10 4.172780889159457e-10 -1.60315330766804e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.345945 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.823262333988266e-18 } }