{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.15339100000000003 -1.3721266000000003 0.6087930000000001 ] [ -0.9233000000000002 0.6098784000000002 1.2658133000000003 ] [ -1.2400000000000003e-05 0.3517100000000001 -1.5289772000000004 ] [ -0.37862230000000013 2.1494039000000003 -1.7315208000000004 ] [ -0.4842417000000001 -0.3893914000000001 0.8317712000000003 ] [ -2.3375013000000004 0.5037442000000001 0.058154400000000016 ] [ 1.0579225000000003 -2.6253183000000004 -1.5188018000000005 ] [ 2.9123641000000005 0.7720997000000003 2.0147679000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.457594740411328e-10 -2.198389159297793e-09 9.753939115066947e-10 ] [ -1.47928967398464e-09 9.77132914010911e-10 2.028056475557697e-09 ] [ -1.986699009792e-14 5.635015393015681e-10 -2.449691523576247e-09 ] [ -6.066197971735241e-10 3.443724677236342e-09 -2.774202144188913e-09 ] [ -7.758407305564475e-10 -6.238737974205813e-10 1.332644370494761e-09 ] [ -3.745089933949608e-09 8.070871801035995e-10 9.317362007665155e-11 ] [ 1.694978696118289e-09 -4.206223602418401e-09 -2.433388735588958e-09 ] [ 4.666121672277234e-09 1.237040088266694e-09 3.228014025718312e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.059278 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.777333217452778e-18 } }