{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5555461 -0.2260914 -2.9826175 ] [ 0.4032831 0.5413781 1.1341356 ] [ -0.2260795 0.8477239 0.4418393 ] [ 0.0732856 -0.731053 1.0082588 ] [ -1.1406986 0.2729696 1.2316585 ] [ 0.465346 0.4356464 0.7929238 ] [ -0.1216457 1.8265157 -1.7934107 ] [ -0.009037 -2.9670892 0.1672121 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.900829731966189e-10 -3.622383552439411e-10 -4.778680027288944e-09 ] [ 6.461307543837485e-10 8.673833348331245e-10 1.81708554313698e-09 ] [ -3.622192893421536e-10 1.358203413473397e-09 7.079045966106375e-10 ] [ 1.174164749613005e-10 -1.171276025165702e-09 1.615408677075863e-09 ] [ -1.827600628299291e-09 4.373455113091277e-10 1.973334453509597e-09 ] [ 7.455664817827968e-10 6.979824770156851e-10 1.270403974435895e-09 ] [ -1.948978965608506e-10 2.926400752064147e-09 -2.873360695032562e-09 ] [ -1.44788701221696e-11 -4.753800948068176e-09 2.679033173348717e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.085073038775914 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.737330458738718e-18 } }