{ "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" [ [ 0.1217443 0.026603 -0.3609596 ] [ 0.1057705 -0.0160082 0.3191974 ] [ 0.0712936 -0.3325157 0.2602378 ] [ -0.2922178 -0.1967969 0.130061 ] [ 0.2891009 0.3467559 -0.175757 ] [ 0.1445011 -0.0006627 -0.2308197 ] [ 0.0314653 0.2445975 -0.0652025 ] [ -0.4716579 -0.071973 0.1232426 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.950558711756614e-10 4.262270464314241e-11 -5.783210321733197e-10 ] [ 1.694630222703264e-10 -2.564796378109056e-11 5.11410611700146e-10 ] [ 1.142249391326669e-10 -5.327488805889466e-10 4.169469190084263e-10 ] [ -4.681845273416103e-10 -3.153033922259156e-10 2.083806934778688e-10 ] [ 4.631907030322387e-10 5.555641961044627e-10 -2.815937563419456e-10 ] [ 2.315162840998829e-10 -1.06176244660416e-12 -3.698139269600698e-10 ] [ 5.041296802645824e-11 3.91888396006128e-10 -1.04465921117712e-10 ] [ -7.556792603956244e-10 -1.153134579288384e-10 1.974564124066061e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 30.659833 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.912246763023233e-18 } }