{ "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" [ [ -0.6323339999999998 -0.13708419999999996 0.38202179999999997 ] [ 0.9814151999999999 0.7115137999999999 -1.5181598999999997 ] [ -1.7618512999999998 0.28502439999999996 -0.6202876999999999 ] [ 0.5312366999999999 1.0564625999999997 -0.046721099999999995 ] [ -0.5613682999999999 -0.04907389999999999 1.5220670999999997 ] [ 0.041475599999999994 -0.20502709999999996 -0.5682503999999999 ] [ 0.5784154999999999 -1.2555338999999999 1.2798514999999997 ] [ 0.8230106999999999 -0.40628159999999996 -0.43052129999999994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.013110751336947e-09 -2.196331003210713e-10 6.120663965959333e-10 ] [ 1.572400488737756e-09 1.139970775736567e-09 -2.432360298416066e-09 ] [ -2.822796962186086e-09 4.566594300375475e-10 -9.93810451109804e-10 ] [ 8.511350208509432e-10 1.692639678469582e-09 -7.485545411805886e-11 ] [ -8.994111659182406e-10 -7.862505527147711e-11 2.438620322908855e-09 ] [ 6.645123665365247e-11 -3.284896262504237e-10 -9.104375056402483e-10 ] [ 9.267237912083421e-10 -2.011587061201845e-09 2.050548151395811e-09 ] [ 1.318608502208242e-09 -6.509348809812172e-10 -6.89771161616423e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.751867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.888298207815103e-18 } }