{ "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" [ 5.42386 0 0 ] "si-unit" "m" "si-value" [ 5.423860000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00583756 5.42008 0 ] "si-unit" "m" "si-value" [ -5.83756e-13 5.42008e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.133978 0.025245 5.31918 ] "si-unit" "m" "si-value" [ 1.33978e-11 2.5245e-12 5.31918e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0601366 -0.000139309 -0.0552929 ] [ 1.41186 1.40158 1.29827 ] [ 0.0312084 2.71899 2.71348 ] [ 1.40738 4.08238 4.03102 ] [ 2.73873 -0.00499376 2.66143 ] [ 4.093 1.3473 4.02214 ] [ 2.75009 2.74892 -0.00923085 ] [ 4.15824 4.1992 1.24093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.01366e-12 -1.39309e-14 -5.52929e-12 ] [ 1.41186e-10 1.40158e-10 1.29827e-10 ] [ 3.12084e-12 2.71899e-10 2.71348e-10 ] [ 1.40738e-10 4.08238e-10 4.03102e-10 ] [ 2.73873e-10 -4.993760000000001e-13 2.66143e-10 ] [ 4.093e-10 1.3473e-10 4.02214e-10 ] [ 2.75009e-10 2.74892e-10 -9.23085e-13 ] [ 4.158240000000001e-10 4.1992e-10 1.24093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2158941000000003 2.4013078000000005 -0.10904120000000003 ] [ -0.9383448000000002 -0.7244178000000001 0.5181745000000001 ] [ 0.17042120000000002 0.5649016000000001 -1.1282660000000002 ] [ 0.4103077000000001 -0.6521501000000001 -0.8551638000000003 ] [ 0.22379270000000007 0.7794417000000002 -0.3926370000000001 ] [ 0.4040641000000001 -0.11327830000000003 -1.1287401000000001 ] [ -0.4574937000000001 0.8858415000000002 0.3805716000000001 ] [ -2.0286413000000003 -3.1416465000000007 2.7151020000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.550253721188658e-09 3.847319216504683e-09 -1.74703261343977e-10 ] [ -1.503394100809252e-09 -1.16064526285137e-09 8.302070693947298e-10 ] [ 2.73044862328681e-10 9.050721365725134e-10 -1.807681407243533e-09 ] [ 6.573854042742203e-10 -1.044859643472382e-09 -1.370123447314488e-09 ] [ 3.585554318457083e-10 1.248803269016608e-09 -6.290738218610498e-10 ] [ 6.473820543245935e-10 -1.814918439039687e-10 -1.808440999179454e-09 ] [ -7.329857103032892e-10 1.419274541034403e-09 6.097429200604494e-10 ] [ -3.25024166284932e-09 -5.033472573118148e-09 4.350072947487322e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.359678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.825462603141611e-18 } }