{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7446084 2.787824 3.0979362 ] [ -1.4989086 0.9966756 -0.853704 ] [ 0.0959856 -0.4041075 -0.9755312 ] [ 2.9167828 -1.7324491 -2.8316913 ] [ -0.2522343 1.4590291 1.1666809 ] [ 0.9430931 -2.5185748 -2.2055996 ] [ -0.6219912 1.5482064 4.654483 ] [ 0.1618811 -2.1366037 -2.052574 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.795170790931295e-09 4.46658643570514e-09 4.963440952369994e-09 ] [ -2.401516315636059e-09 1.596850344841813e-09 -1.367784589883443e-09 ] [ 1.537858842534605e-10 -6.47451588789936e-10 -1.562973281500969e-09 ] [ 4.673201210111562e-09 -2.775689444746001e-09 -4.53686959818276e-09 ] [ -4.041238984238535e-10 2.337622313086865e-09 1.869228861913903e-09 ] [ 1.511001716057797e-09 -4.035201662296036e-09 -3.533760113965832e-09 ] [ -9.96539758983337e-10 2.480500098252933e-09 7.457303844511046e-09 ] [ 2.593621137693869e-10 -3.423216496054778e-09 -3.288586075261939e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.418934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.674738798845823e-18 } }