{ "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" [ [ -9.4129142 -10.1286773 -9.7930167 ] [ 14.7995102 3.5204465 4.8249467 ] [ 17.0920893 -19.8170506 25.7541861 ] [ -74.1282562 56.7007668 -45.9892787 ] [ -15.2137594 -15.5176586 -12.4925993 ] [ 41.1311112 -16.7330485 -20.9426972 ] [ 46.9155478 -21.6160751 81.3584857 ] [ -21.1833287 23.5912969 -22.7200266 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.508115106483634e-08 -1.622792996968767e-08 -1.569014240384397e-08 ] [ 2.371142924173113e-08 5.640377077077187e-09 7.730416799346111e-09 ] [ 2.738454587708584e-08 -3.175041516453062e-08 4.126275485715233e-08 ] [ -1.187665590243126e-07 9.084464294839283e-08 -7.368294714059542e-08 ] [ -2.437512962515624e-08 -2.486202981847606e-08 -2.001535053148245e-08 ] [ 6.589930475216504e-08 -2.680929910141251e-08 -3.355389983033363e-08 ] [ 7.516699383718487e-08 -3.463277015867702e-08 1.303506636922311e-07 ] [ -3.393943399386166e-08 3.779742434753152e-08 -3.640149544247412e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.7667072 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.244363669643903e-18 } }