{ "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" [ [ -0.3009528 0.0879362 -0.2429045 ] [ 0.5793189 -0.8737505 -0.4739859 ] [ -1.0367784 0.8075399 0.6721955 ] [ -1.6279444 2.2101677 -1.3689346 ] [ -0.5487794 -0.430602 -0.0988738 ] [ 2.1148888 -1.1821543 -0.6857421 ] [ 0.0653403 -0.834922 1.277741 ] [ 0.7549069 0.2157849 0.9205045 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.821795401242983e-10 1.40889323761993e-10 -3.891759109871136e-10 ] [ 9.281711975675731e-10 -1.39990262351231e-09 -7.594091275688468e-10 ] [ -1.661102113430431e-09 1.29382154814317e-09 1.076975914706966e-09 ] [ -2.608254457642283e-09 3.541079016987308e-09 -2.1932750115242e-09 ] [ -8.792415246566516e-10 -6.899004572697216e-10 -1.58413290769655e-10 ] [ 3.388425390951767e-09 -1.894019981638189e-09 -1.098679960518296e-09 ] [ 1.046867010560582e-10 -1.337692508591578e-09 2.047166757637613e-09 ] [ 1.209494186060604e-09 3.457255219016659e-10 1.474810789241194e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.21192 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.962006823907994e-18 } }