{ "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" [ [ 1.3588742 1.6647035 -4.8009801 ] [ -0.049259 -0.1592131 4.0996251 ] [ 1.2571087 -1.5539262 1.7348871 ] [ -2.6552366 -2.8207695 3.3256849 ] [ 2.6720242 3.2135761 -3.3583397 ] [ 0.4602015 -0.8703896 -1.6753684 ] [ 1.1131502 1.9754933 -1.2607606 ] [ -4.1568632 -1.4494745 1.9352516 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.177156491785443e-09 2.667149050238018e-09 -7.692018136518983e-09 ] [ -7.892161881420599e-11 -2.550875086467054e-10 6.568323543379912e-09 ] [ 2.014110185538116e-09 -2.489664248600411e-09 2.779595574248021e-09 ] [ -4.254158038261604e-09 -4.519370982799863e-09 5.328334638826627e-09 ] [ 4.281054738722543e-09 5.148716539000847e-09 -5.38065339637457e-09 ] [ 7.373240902317509e-10 -1.394517879596606e-09 -2.684236103821966e-09 ] [ 1.783463240572427e-09 3.165089205883552e-09 -2.01996117438782e-09 ] [ -6.660029089774468e-09 -2.322314175478833e-09 3.100614894431114e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.092951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.622510611030693e-18 } }