{ "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" [ 5.46308 0 0 ] "si-unit" "m" "si-value" [ 5.46308e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0404011 5.38219 0 ] "si-unit" "m" "si-value" [ -4.04011e-12 5.38219e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0107061 -0.144189 5.56456 ] "si-unit" "m" "si-value" [ 1.07061e-12 -1.44189e-11 5.56456e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0957934 0.00987827 -0.0909378 ] [ 1.38627 1.24986 1.3117 ] [ -0.0751597 2.80438 2.76133 ] [ 1.36904 3.93592 4.18176 ] [ 2.71956 -0.067532 2.7564 ] [ 4.08015 1.26891 4.08099 ] [ 2.56948 2.74723 0.13466 ] [ 4.07358 4.09238 1.48906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.579340000000001e-12 9.87827e-13 -9.09378e-12 ] [ 1.38627e-10 1.24986e-10 1.3117e-10 ] [ -7.51597e-12 2.80438e-10 2.76133e-10 ] [ 1.36904e-10 3.93592e-10 4.18176e-10 ] [ 2.71956e-10 -6.7532e-12 2.7564e-10 ] [ 4.08015e-10 1.26891e-10 4.08099e-10 ] [ 2.56948e-10 2.74723e-10 1.3466e-11 ] [ 4.07358e-10 4.092380000000001e-10 1.48906e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4599537 0.1013318 0.5264591 ] [ -1.5945457 0.1623493 1.2818878 ] [ 0.9945251 -2.3503428 0.3140181 ] [ -0.2799206 0.5283106 0.0880246 ] [ -0.842091 0.5951832 0.5618203 ] [ -0.3304375 0.9282577 0.9310001 ] [ 2.0462767 0.2884674 -1.5360698 ] [ -0.4537606 -0.2535571 -2.1671403 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.36927064790457e-10 1.623514409035815e-10 8.434804618274092e-10 ] [ -2.55474384133717e-09 2.601122528632455e-10 2.053810663648746e-09 ] [ 1.593404864018782e-09 -3.765664285025611e-09 5.031124583280365e-10 ] [ -4.484822410003085e-10 8.464468918408205e-10 1.410309561752717e-10 ] [ -1.349178512786093e-09 9.535886081329305e-10 9.001353497508424e-10 ] [ -5.294192371356e-10 1.48723278501758e-09 1.491626594182462e-09 ] [ 3.278496688427775e-09 4.621757241429619e-10 -2.461055121476932e-09 ] [ -7.270046247601806e-10 -4.062432576578476e-10 -3.472141522653498e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.192019 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.79860067013494e-18 } }