{ "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" [ [ 1.1467254 1.8354785 -5.5284352 ] [ -0.0261836 -0.1609378 5.1648513 ] [ 1.2661721 -1.6324001 1.9110676 ] [ -2.3594678 -2.826564 3.4827742 ] [ 2.3738018 3.3376118 -3.546409 ] [ 0.3776965 -0.9968343 -2.1108393 ] [ 1.2504407 1.8597228 -1.632113 ] [ -4.029185 -1.4160771 2.2591035 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.837256626357528e-09 2.940760740681053e-09 -8.857529627047772e-09 ] [ -4.195075176837888e-11 -2.578507805629863e-10 8.275004002768487e-09 ] [ 2.02863133652924e-09 -2.615393276011582e-09 3.061867829488366e-09 ] [ -3.78028414669041e-09 -4.528654757994931e-09 5.580019398765424e-09 ] [ 3.803249746372957e-09 5.347443595266206e-09 -5.681973587594708e-09 ] [ 6.051365020579872e-10 -1.597104610271533e-09 -3.381937376725837e-09 ] [ 2.003426855236787e-09 2.979604391328714e-09 -2.614933291103751e-09 ] [ -6.455466007878048e-09 -2.268805622870264e-09 3.619482811667453e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.896237 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.590993507529593e-18 } }