{ "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" [ 5.18551 0 0 ] "si-unit" "m" "si-value" [ 5.18551e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.238045 5.44258 0 ] "si-unit" "m" "si-value" [ 2.38045e-11 5.44258e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0219846 -0.0831786 5.06218 ] "si-unit" "m" "si-value" [ 2.19846e-12 -8.31786e-12 5.06218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0772431 0.350103 0.202788 ] [ 1.30878 1.27698 1.65073 ] [ 0.0902711 2.6496 2.76502 ] [ 1.60148 3.65596 4.18013 ] [ 2.76894 -0.178197 3.21948 ] [ 3.70957 1.45836 3.94737 ] [ 2.83791 2.83658 -0.151442 ] [ 4.06532 3.74454 1.70854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.72431e-12 3.50103e-11 2.02788e-11 ] [ 1.30878e-10 1.27698e-10 1.65073e-10 ] [ 9.02711e-12 2.6496e-10 2.76502e-10 ] [ 1.60148e-10 3.65596e-10 4.18013e-10 ] [ 2.76894e-10 -1.78197e-11 3.21948e-10 ] [ 3.70957e-10 1.45836e-10 3.94737e-10 ] [ 2.83791e-10 2.83658e-10 -1.51442e-11 ] [ 4.06532e-10 3.74454e-10 1.70854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9445559 -4.5795159 -2.0139059 ] [ 4.0750369 0.0457101 -0.90254 ] [ 1.3183173 -0.4572039 2.6495522 ] [ -21.2508322 17.1608115 -9.9506756 ] [ -3.157249 -3.2936358 -3.8823606 ] [ 8.595057 -6.9777018 -3.353725 ] [ 13.4306812 -5.9143009 20.9947495 ] [ -2.0664552 4.0158368 -3.5410945 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.513345380018703e-09 -7.337193309561871e-09 -3.226632949471183e-09 ] [ 6.528928850077307e-09 7.323565355443007e-11 -1.446028487336832e-09 ] [ 2.11217715685618e-09 -7.325213995185811e-10 4.245050590429206e-09 ] [ -3.404758652338383e-08 2.749465097925578e-08 -1.594273980748501e-08 ] [ -5.058470533844179e-09 -5.276986276189905e-09 -6.220227386835062e-09 ] [ 1.377079937984339e-08 -1.117951069087408e-08 -5.37325978759248e-09 ] [ 2.151832342005809e-08 -9.4757546303564e-09 3.363729680845249e-08 ] [ -3.310826209370588e-09 6.434079833908285e-09 -5.673458819943465e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.204728 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.038242593522314e-18 } }