{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1671919 0.9519931 0.3356691 ] [ -0.5312248 -0.2588291 -0.9518471 ] [ 0.928464 1.316852 -1.0126613 ] [ -0.4092045 -1.1260547 1.042344 ] [ -0.0379372 1.2933709 0.7339403 ] [ -0.0897819 -1.8214132 0.6237752 ] [ -0.6983559 0.4310661 -0.637249 ] [ 0.6708484 -0.7869851 -0.1339713 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.678709533671316e-10 1.525261087982917e-09 5.378011843449772e-10 ] [ -8.511159549491559e-10 -4.146899328027052e-10 -1.52502717019628e-09 ] [ 1.487563314054451e-09 2.109829487453721e-09 -1.622462259648935e-09 ] [ -6.556178830261536e-10 -1.804138514081958e-09 1.670019187631155e-09 ] [ -6.078209489861376e-11 2.072208618003055e-09 1.175901989722938e-09 ] [ -1.438464611510035e-10 -2.918225645856515e-09 9.99398042074844e-10 ] [ -1.118889495977743e-09 6.906440274394349e-10 -1.020985449428179e-09 ] [ 1.074817622581087e-09 -1.26088912813795e-09 -2.14645684718183e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -37.064357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.938364625038483e-18 } }