{ "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" [ [ 4.142752894932422e-10 7.210692012507647e-11 -6.853576456791052e-10 ] [ -1.994161948491686e-09 -8.005783375815993e-10 1.155949924046454e-09 ] [ 7.314234278803469e-10 -1.651916193992736e-09 -2.097231572684372e-10 ] [ -1.456798959452498e-09 -9.723404833027736e-10 2.468711603112411e-09 ] [ 7.18329799664521e-10 1.284901910459852e-09 -1.618155288456901e-09 ] [ 6.38483405155008e-11 1.425850674974477e-09 2.167175394153706e-09 ] [ 2.011251885852774e-09 5.277387140780428e-10 -1.669870826076069e-09 ] [ -4.881679956798624e-10 1.142367952396608e-10 -1.60873016404972e-09 ] ] "source-value" [ [ 0.25857030000000003 0.04500560000000001 -0.4277666000000001 ] [ -1.2446580000000003 -0.4996817000000001 0.7214872000000001 ] [ 0.4565186000000001 -1.0310450000000002 -0.13089890000000004 ] [ -0.9092624000000002 -0.6068872000000001 1.5408486000000003 ] [ 0.4483462000000001 0.8019727000000002 -1.0099731000000003 ] [ 0.039851000000000004 0.8899460000000002 1.3526445000000002 ] [ 1.2553247000000003 0.32938860000000003 -1.0422514000000003 ] [ -0.30469050000000003 0.07130100000000002 -1.0040904000000002 ] ] } "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" -6.687008888109836e-18 "source-value" -41.737027 } }