{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45864e-10 0.0 0.0 ] "source-value" [ 5.45864 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] "source-value" [ 0.103818 5.38839 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] "source-value" [ 0.113176 0.0705962 5.39093 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 6.113853113144314e-10 -1.436533988681971e-10 -1.084476023904255e-09 ] [ -3.201919855748329e-09 -1.425568371453892e-09 2.045584287789249e-09 ] [ 8.987581187276026e-10 -2.564974219713965e-09 -7.547463129493325e-10 ] [ -2.358015457987056e-09 -1.693140999534231e-09 3.521372885422117e-09 ] [ 1.451325123027535e-09 2.024454462078814e-09 -2.919184868999388e-09 ] [ 2.692090912808237e-10 1.96824161468506e-09 3.131408222884583e-09 ] [ 2.781225445623852e-09 9.155178474871431e-10 -1.912903876161586e-09 ] [ -4.51967936456521e-10 9.191229051016052e-10 -2.027054314081386e-09 ] ] "source-value" [ [ 0.3815967000000001 -0.08966140000000002 -0.6768767000000001 ] [ -1.9984812000000005 -0.8897698000000003 1.2767533000000002 ] [ 0.5609607000000001 -1.6009310000000005 -0.4710756000000001 ] [ -1.4717575000000003 -1.0567755000000003 2.1978681000000004 ] [ 0.9058459000000002 1.2635651000000003 -1.8220119000000004 ] [ 0.16802710000000004 1.2284798000000001 1.9544713000000005 ] [ 1.7359044000000003 0.5714213000000001 -1.1939407000000002 ] [ -0.2820962000000001 0.5736714000000002 -1.2651878000000003 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.8182427146353e-18 "source-value" -36.314615 } }