{ "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" [ [ 0.0388528 -0.3625839 -0.1161307 ] [ 0.8403488 0.0368947 -1.1637106 ] [ -0.4816752 1.9407364 -0.2747528 ] [ 0.0742093 -0.3326441 -0.0847361 ] [ 0.5578432 -0.9040899 -0.4035477 ] [ 0.1726674 -0.6932285 -0.4901889 ] [ -1.782844 -0.3255908 0.7525173 ] [ 0.5805977 0.6405061 1.7805496 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.22490483254752e-11 -5.809234524445926e-10 -1.860618940300638e-10 ] [ 1.346387211769939e-09 5.91118262584398e-11 -1.86446993205812e-09 ] [ -7.717287506172768e-10 3.109402512833277e-09 -4.402025162860752e-10 ] [ 1.188964064854962e-10 -5.329546044579593e-10 -1.357621994762874e-10 ] [ 8.937633404757887e-10 -1.448511712815397e-09 -6.465546956444418e-10 ] [ 2.766436737335315e-10 -1.110674504722869e-09 -7.853692018261625e-10 ] [ -2.856430998867096e-09 -5.216539720053671e-10 1.205665634740768e-09 ] [ 9.302200686941417e-10 1.026203907354467e-09 2.852754964798046e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.8540886015624807 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.368400800789142e-19 } }