{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6542539999999999 -0.16122229999999999 0.20856779999999997 ] [ 1.2196156999999999 1.0306324999999998 -2.2175663999999995 ] [ -2.6965359999999996 0.4553307999999999 -1.4905767999999997 ] [ 0.45945289999999994 1.9995058999999997 0.23827519999999996 ] [ 0.09216909999999999 0.16640389999999997 1.8936055999999999 ] [ -0.6770298999999999 -0.3562853999999999 -0.24798929999999997 ] [ 1.1349270999999999 -2.0551528999999995 1.9083454999999998 ] [ 1.1216551999999997 -1.0792123999999998 -0.29266169999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.048230462864883e-09 -2.583065998116038e-10 3.341624530116902e-10 ] [ 1.954039760900627e-09 1.651255296136656e-09 -3.55293304115162e-09 ] [ -4.320326936345548e-09 7.295203624901606e-10 -2.388167300466877e-09 ] [ 7.361246947387602e-10 3.203561606131662e-09 3.817589547564441e-10 ] [ 1.476711771801773e-10 2.666084381899411e-10 3.033890621335956e-09 ] [ -1.084721477362562e-09 -5.708321382123762e-10 -3.973226586685574e-10 ] [ 1.818353665932344e-09 -3.292717928549319e-09 3.057506544508886e-09 ] [ 1.797089738038748e-09 -1.729088876157458e-09 -4.688957335435833e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.953937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.76045572871161e-18 } }