{ "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" [ 5.33408 0 0 ] "si-unit" "m" "si-value" [ 5.33408e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.034982 5.4373 0 ] "si-unit" "m" "si-value" [ 3.4982e-12 5.437299999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.179208 0.185424 5.40079 ] "si-unit" "m" "si-value" [ 1.79208e-11 1.85424e-11 5.40079e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0492126 -0.0420999 -0.0477888 ] [ 1.41891 1.35069 1.31795 ] [ 0.0600152 2.70621 2.67075 ] [ 1.52388 3.98641 4.19062 ] [ 2.7955 -0.0317733 2.51171 ] [ 4.14719 1.34284 3.96242 ] [ 2.77343 2.76788 -0.181612 ] [ 4.04692 4.12597 1.21449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.92126e-12 -4.209990000000001e-12 -4.77888e-12 ] [ 1.41891e-10 1.35069e-10 1.31795e-10 ] [ 6.00152e-12 2.70621e-10 2.67075e-10 ] [ 1.52388e-10 3.98641e-10 4.19062e-10 ] [ 2.7955e-10 -3.17733e-12 2.51171e-10 ] [ 4.14719e-10 1.34284e-10 3.96242e-10 ] [ 2.77343e-10 2.76788e-10 -1.81612e-11 ] [ 4.04692e-10 4.12597e-10 1.21449e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.7386549 0.1459489 0.024607 ] [ -0.5181576 0.3702041 -1.342662 ] [ 1.333997 0.770882 -0.4000204 ] [ -4.6073205 4.1128356 -5.1290376 ] [ -1.0092255 1.0772109 2.7618112 ] [ -1.2622266 0.4619428 -0.7113772 ] [ 2.7134831 -4.4704978 4.2687138 ] [ 0.6107952 -2.4685264 0.5279654 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.387808853219361e-09 2.338359154114771e-10 3.942476010802561e-11 ] [ -8.30179992609838e-10 5.931323539443052e-10 -2.15118166603657e-09 ] [ 2.137298805617338e-09 1.235089117795545e-09 -6.409033327230644e-10 ] [ -7.381741189632567e-09 6.589489043513941e-09 -8.217624129924143e-09 ] [ -1.616957501215191e-09 1.725882119650927e-09 4.424909335703593e-09 ] [ -2.022309948671873e-09 7.401139543068901e-10 -1.139751918410166e-09 ] [ 4.347479183755908e-09 -7.162527058497835e-09 6.839233451246326e-09 ] [ 9.786017895368602e-10 -3.955015285907589e-09 8.458938204713204e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.94294 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.758693815081715e-18 } }