{ "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" [ [ 0.9278745 0.9061425 -2.9446571 ] [ 0.0594562 -0.0991884 2.4535204 ] [ 0.7962648 -1.2334609 1.4133235 ] [ -1.8270752 -1.7293934 2.188653 ] [ 1.818931 2.1008343 -2.2177947 ] [ 0.4775732 -0.5086491 -1.3207227 ] [ 0.6516582 1.4050327 -0.5873911 ] [ -2.9046828 -0.8413177 1.0150687 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.48661883093649e-09 1.451800328613264e-09 -4.717860761892728e-09 ] [ 9.525933360160896e-11 -1.589173355345587e-10 3.930973023535865e-09 ] [ 1.275756846525988e-09 -1.976222216650927e-09 2.264393869327229e-09 ] [ -2.927297169883484e-09 -2.770793673645823e-09 3.506608667643782e-09 ] [ 2.914248723048365e-09 3.365907599634733e-09 -3.553298818074149e-09 ] [ 7.651566157606425e-10 -8.149456962109613e-10 -2.116031032499852e-09 ] [ 1.044071532792611e-09 2.251110543399501e-09 -9.41104287685995e-10 ] [ -4.653814872999881e-09 -1.347939549605228e-09 1.626319339645849e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.74691224065424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.683151126256557e-18 } }