{ "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" [ [ -0.5873033 0.2787726 -0.1717506 ] [ -0.8488394 -0.2529438 0.6314734 ] [ 0.5478119 -1.2974399 -0.1373116 ] [ 0.667769 -0.2566978 0.3108423 ] [ -1.0222656 0.6205764 0.4949346 ] [ 0.0504349 1.0921925 0.620239 ] [ 0.7902372 0.0010938 -0.5179491 ] [ 0.4021553 -0.1855537 -1.2304781 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.409636165786886e-10 4.466429422396301e-10 -2.751747959283725e-10 ] [ -1.359990641493899e-09 -4.05260642736311e-10 1.011731918137087e-09 ] [ 8.776914187760276e-10 -2.07872787467309e-09 -2.199974352846413e-10 ] [ 1.069883879894995e-09 -4.112752137707942e-10 4.980242658156998e-10 ] [ -1.637850044568085e-09 9.942729995002293e-10 7.929726449449997e-10 ] [ 8.080561765238592e-11 1.749885288913104e-09 9.937324251083712e-10 ] [ 1.266099566726454e-09 1.75246078783104e-12 -8.298459387844014e-10 ] [ 6.443238195908103e-10 -2.97289800042937e-10 -1.971443244226405e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 638.75454 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.023397590417859e-16 } }