{ "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" [ [ 1.4651195000000001 1.6480820000000005 -0.08940430000000002 ] [ -0.7362152000000001 -0.5243352000000001 0.29878670000000007 ] [ -0.04574520000000001 0.4155722000000001 -0.8367805000000003 ] [ 0.5918079000000002 -0.5705073000000002 -0.6905723000000001 ] [ 0.049424700000000016 0.36420160000000007 -0.31509770000000004 ] [ 0.10778080000000002 0.10620640000000003 -0.9665983000000002 ] [ -0.17748220000000003 0.6832424000000001 0.33478130000000006 ] [ -1.2546903000000003 -2.1224622000000006 2.2648852000000006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.347380209578186e-09 2.640518449561306e-09 -1.432414792589895e-10 ] [ -1.179546781317596e-09 -8.400775989024923e-10 4.787090653459835e-10 ] [ -7.329188995382017e-11 6.65820063094422e-10 -1.340670153841335e-09 ] [ 9.481807813847445e-10 -9.140534580557321e-10 -1.106418794032084e-09 ] [ 7.918709883005379e-11 5.835152887779534e-10 -5.048421682078522e-10 ] [ 1.726838779311207e-10 1.701614110593332e-10 -1.548661197965025e-09 ] [ -2.843578314481498e-10 1.094674999619282e-09 5.363787719410312e-10 ] [ -2.010235465004539e-09 -3.400559315371735e-09 3.628746116235933e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -41.73285 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.686339658935328e-18 } }