{ "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" [ 5.44976 0 0 ] "si-unit" "m" "si-value" [ 5.449760000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0355309 5.38277 0 ] "si-unit" "m" "si-value" [ -3.55309e-12 5.38277e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.05055 0.148675 5.46244 ] "si-unit" "m" "si-value" [ 5.055e-12 1.48675e-11 5.46244e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0326933 -0.0289977 0.141129 ] [ 1.38935 1.3881 1.19735 ] [ 0.0127821 2.83796 2.59214 ] [ 1.40644 4.238 3.96398 ] [ 2.76811 0.0511022 2.83036 ] [ 4.1335 1.52222 4.23862 ] [ 2.69114 2.71897 0.000278438 ] [ 4.17588 4.12802 1.32379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.26933e-12 -2.89977e-12 1.41129e-11 ] [ 1.38935e-10 1.3881e-10 1.19735e-10 ] [ 1.27821e-12 2.83796e-10 2.59214e-10 ] [ 1.40644e-10 4.238000000000001e-10 3.96398e-10 ] [ 2.76811e-10 5.11022e-12 2.830360000000001e-10 ] [ 4.1335e-10 1.52222e-10 4.23862e-10 ] [ 2.69114e-10 2.71897e-10 2.78438e-14 ] [ 4.17588e-10 4.12802e-10 1.32379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6167778 0.1190556 -1.5878212 ] [ 0.4057397 -0.1346986 1.4000091 ] [ 0.3662063 -1.4764072 1.1239613 ] [ -1.3791368 -0.8951503 0.6297693 ] [ 1.3399234 1.5576098 -0.8311453 ] [ 0.6104639 0.0122623 -0.9816432 ] [ 0.1795073 1.1393161 -0.2786301 ] [ -2.1394816 -0.3219877 0.5255 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.881869713884585e-10 1.907480988953165e-10 -2.543970004650601e-09 ] [ 6.500666614704058e-10 -2.158109477744909e-10 2.243061848927249e-09 ] [ 5.867271722496709e-10 -2.365465098620789e-09 1.800784517543975e-09 ] [ -2.209620737844925e-09 -1.434188882762106e-09 1.009001648957581e-09 ] [ 2.146793945142847e-09 2.495566005888964e-09 -1.331641568147802e-09 ] [ 9.78070988422389e-10 1.964637037723584e-11 -1.572765785007299e-09 ] [ 2.876023993229318e-10 1.825385619121035e-09 -4.464146320711661e-10 ] [ -3.427827400151777e-09 -5.158811651251641e-10 8.419438142304e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 654.06189 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.047922668714261e-16 } }