{ "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" [ 5.52208 0 0 ] "si-unit" "m" "si-value" [ 5.52208e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968577 5.45697 0 ] "si-unit" "m" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.137264 0.147448 5.57607 ] "si-unit" "m" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0138032 0.0341723 -0.113332 ] [ 1.31844 1.45238 1.31404 ] [ 0.0088982 2.79356 2.65987 ] [ 1.44046 4.10222 4.12461 ] [ 2.80067 0.127474 2.69388 ] [ 4.04292 1.57371 4.10996 ] [ 2.66616 2.79739 -0.110182 ] [ 4.02446 4.16186 1.2374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.38032e-12 3.41723e-12 -1.13332e-11 ] [ 1.31844e-10 1.45238e-10 1.31404e-10 ] [ 8.8982e-13 2.79356e-10 2.65987e-10 ] [ 1.44046e-10 4.10222e-10 4.12461e-10 ] [ 2.80067e-10 1.27474e-11 2.69388e-10 ] [ 4.04292e-10 1.57371e-10 4.10996e-10 ] [ 2.66616e-10 2.79739e-10 -1.10182e-11 ] [ 4.024460000000001e-10 4.16186e-10 1.2374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2106576 0.2988598 -0.7531832 ] [ 0.5889978 -0.9012872 -0.448687 ] [ -1.0634856 1.0241173 0.5085745 ] [ -1.6668453 1.9809322 -1.1738492 ] [ -0.4625228 -0.4151946 -0.2119063 ] [ 2.0658463 -1.2636306 -0.3268193 ] [ 0.0925826 -0.697906 1.2768809 ] [ 0.6560846 -0.0258909 1.1289895 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.375106817138381e-10 4.788261844569638e-10 -1.206732514219331e-09 ] [ 9.436785048626343e-10 -1.444021280466294e-09 -7.188758214568896e-10 ] [ -1.70389176487746e-09 1.64081679501682e-09 8.148261738350497e-10 ] [ -2.670580570150362e-09 3.17380325822991e-09 -1.880713744584783e-09 ] [ -7.410432167469543e-10 -6.652150812024077e-10 -3.39511319660231e-10 ] [ 3.309850644026183e-09 -2.024559404647476e-09 -5.236222416862214e-10 ] [ 1.483336772128781e-10 -1.118168676716045e-09 2.045788725526063e-09 ] [ 1.05116340738692e-09 -4.148179467147072e-11 1.808840582028682e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.01224 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.449361574903859e-18 } }