{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6249839 -0.5859001 0.7961099 ] [ 0.8562363 -0.739137 -0.6203361 ] [ -0.173508 -0.1405669 2.304786 ] [ -1.2626023 -1.5930644 1.4947251 ] [ 1.3149649 2.2018506 0.0320721 ] [ -1.2114116 0.6621821 -0.2405581 ] [ 0.6443396 -0.5320716 -1.8815455 ] [ 1.4569649 0.7267073 -1.8852536 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.603511235206192e-09 -9.387154500782633e-10 1.275508679876077e-09 ] [ 1.371841793042614e-09 -1.184228030724858e-09 -9.938880046466872e-10 ] [ -2.77990463412072e-10 -2.252130026938146e-10 3.692674275570324e-09 ] [ -2.022911903094658e-09 -2.55237055813723e-09 2.394813629473313e-09 ] [ 2.106806037310147e-09 3.527753582878881e-09 5.13851692233114e-11 ] [ -1.940895359676554e-09 1.060932688073051e-09 -3.854165669394354e-10 ] [ 1.032345851480906e-09 -8.524726851349942e-10 -3.014568235907847e-09 ] [ 2.334315119338146e-09 1.164313455817228e-09 -3.020509267084382e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.368882 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.826937294510318e-18 } }