{ "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" [ [ -1.4227237999999998 -0.15155199999999996 0.7245480999999999 ] [ 2.1586061999999995 1.5891867999999998 -3.2184050999999996 ] [ -3.8062679999999998 0.8370412999999999 -1.8019953999999998 ] [ 1.0338880999999998 1.8301480999999997 0.30532519999999996 ] [ -0.11886649999999999 0.32859169999999993 2.4965434999999996 ] [ -0.5077193999999999 -0.39749629999999997 -0.6617778999999999 ] [ 1.1383316999999997 -2.6836604999999993 2.6832051999999997 ] [ 1.5247516999999997 -1.3522591999999998 -0.5274435999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.279454810215735e-09 -2.428130712354816e-10 1.16085402646506e-09 ] [ 3.458468387153928e-09 2.546157937043965e-09 -5.156453407483485e-09 ] [ -6.098313602099174e-09 1.341088001504039e-09 -2.887114900669144e-09 ] [ 1.656471342343332e-09 2.93222049842154e-09 4.89184897181084e-10 ] [ -1.904451272963232e-10 5.264619395289273e-10 3.999903628510204e-09 ] [ -8.134561526066034e-10 -6.368592787145029e-10 -1.06028507954212e-09 ] [ 1.823808436455519e-09 -4.299698111264437e-09 4.298968640248988e-09 ] [ 2.442921526265055e-09 -2.166558075501711e-09 -8.450578047105867e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.173672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.315008170448759e-18 } }