{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2346499 -2.8351002 -2.0602587 ] [ -1.1330261 0.2289412 7.0636743 ] [ 2.1660625 -1.9559111 2.9325156 ] [ -6.4577059 -7.1563426 4.6894932 ] [ 2.7276959 3.7419211 -8.4485939 ] [ 0.7000425 4.0746959 0.8678523 ] [ 4.3125664 2.1909395 -4.3127462 ] [ -1.0809854 1.7108562 -0.7319366 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.978127220950436e-09 -4.542331295488726e-09 -3.300898349135215e-09 ] [ -1.815307943132147e-09 3.668042411999208e-10 1.13172539136463e-08 ] [ 3.470414725283624e-09 -3.133715062601237e-09 4.69840797316049e-09 ] [ -1.034638550222394e-08 -1.146572489861881e-08 7.513396430341888e-09 ] [ 4.3702506356376e-09 5.995218552691576e-09 -1.353613973673493e-08 ] [ 1.121591736306945e-09 6.528382561635601e-09 1.390452676823158e-09 ] [ 6.909493118653496e-09 3.510272073407642e-09 -6.90978119001229e-09 ] [ -1.731929549575144e-09 2.74109382777403e-09 -1.172691718089404e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.827703 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.29827188904917e-18 } }