{ "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" [ [ -0.8298064999999999 -0.07760279999999999 0.38988939999999994 ] [ 1.1996572999999997 0.8805297999999999 -2.1076959999999993 ] [ -2.5947906999999995 0.36307649999999997 -1.3686485999999998 ] [ 0.5684696999999999 1.7234762999999997 0.44392819999999994 ] [ 0.07402259999999998 0.3543743999999999 1.6473933999999997 ] [ -0.5123728999999999 -0.36099509999999996 -0.32236539999999997 ] [ 1.2536475999999999 -1.9932155999999999 1.6712568999999997 ] [ 0.8411727999999999 -0.8896435999999999 -0.35375789999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.329496574087875e-09 -1.243333918686182e-10 6.246716813777395e-10 ] [ 1.922062879032051e-09 1.4107642594777e-09 -3.376901254953676e-09 ] [ -4.157312995409266e-09 5.817126798618912e-10 -2.192816789010651e-09 ] [ 9.107888629731896e-10 2.761313434362886e-09 7.112513833538265e-10 ] [ 1.1859727913083e-10 5.677703786900274e-10 2.639415190740222e-09 ] [ -8.209118815114962e-10 -5.78377909443358e-10 -5.164863072348403e-10 ] [ 2.00856487544203e-09 -3.193483434533845e-09 2.677648732530683e-09 ] [ 1.347707394212874e-09 -1.425366176764347e-09 -5.667826368033043e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.769002 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.730825875374844e-18 } }