{ "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" [ [ -1.51334539248684e-09 -7.33719337001148e-09 -3.226632976054741e-09 ] [ 6.528928903867793e-09 7.323565415780339e-11 -1.44602849925036e-09 ] [ 2.112177174257968e-09 -7.325214055536725e-10 4.245050625403295e-09 ] [ -3.404758680389481e-08 2.749465120577849e-08 -1.594273993883393e-08 ] [ -5.058470575519865e-09 -5.276986319665897e-09 -6.22022743808222e-09 ] [ 1.377079949329814e-08 -1.117951078297974e-08 -5.373259831861649e-09 ] [ 2.151832359734308e-08 -9.47575470842517e-09 3.363729708558318e-08 ] [ -3.310826236647796e-09 6.43407988691733e-09 -5.673458866685912e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.204728 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.038242626792555e-18 } }