{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8131447 3.324157 1.2836631 ] [ 1.6311833 0.1328765 -2.6198027 ] [ 0.5378943 0.6128145 -2.1198539 ] [ 5.9145923 -0.8387406 -0.3806983 ] [ -6.1957977 -0.9728264 1.1722637 ] [ 3.0222505 -2.6656986 6.3870968 ] [ -1.2671061 2.745079 2.7977123 ] [ 1.1701282 -2.3376615 -6.520381 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.711507974400939e-09 5.325886673147538e-09 2.056655024748005e-09 ] [ 2.613443769031012e-09 2.12891623507701e-10 -4.197386671630112e-09 ] [ 8.618016790217862e-10 9.81837072876393e-10 -3.396380386073772e-09 ] [ 9.476221582696317e-09 -1.34381059130714e-09 -6.099459208635221e-10 ] [ -9.92676230393094e-09 -1.558639727018337e-09 1.878173509026386e-09 ] [ 4.842179133194817e-09 -4.270920010206511e-09 1.023325725205617e-08 ] [ -2.030127786218867e-09 4.398101432284086e-09 4.482429275714398e-09 ] [ 1.874752060824478e-09 -3.745346633501391e-09 -1.044680208297755e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -35.844613 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.742940140337264e-18 } }