{ "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" [ [ -0.4078417 5.7109657 -3.5035733 ] [ -3.1043315 1.4060409 -0.1761374 ] [ 4.4387719 2.6081601 1.8410043 ] [ -3.4224004 -6.8229957 -0.0134032 ] [ 4.7049859 2.1252034 0.2297819 ] [ -3.9635804 0.0479367 4.9781737 ] [ 4.7005652 -1.9522077 -5.0837172 ] [ -2.946169 -3.1231034 1.7278711 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.534344367273273e-10 9.149975726730707e-09 -5.613343230519105e-09 ] [ -4.973687352512995e-09 2.252725857868591e-09 -2.822032243284979e-10 ] [ 7.111696563243996e-09 4.17873313552339e-09 2.94961404825227e-09 ] [ -5.483289907896568e-09 -1.093164419435893e-08 -2.147429368390656e-11 ] [ 7.538218410173646e-09 3.404951201924671e-09 3.681511880630035e-10 ] [ -6.350355851541113e-09 7.680306001830335e-11 7.975913516421433e-09 ] [ 7.531135667986075e-09 -3.12778153588574e-09 -8.145012844598838e-09 ] [ -4.720283092725714e-09 -5.00376325182099e-09 2.768354680175979e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.737227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.521381717562253e-18 } }