{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1211239 0.4518206 0.2498482 ] [ -0.065342 -0.1151666 -0.1492606 ] [ -0.2019853 0.2716153 -0.5790249 ] [ 0.0734571 0.5879991 -0.2717208 ] [ -0.3580766 -0.3791358 -0.0991551 ] [ 0.1692135 -0.1496571 -0.1095797 ] [ -0.0986743 -0.5498295 0.3064441 ] [ 0.3602837 -0.1176461 0.6524488 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.940618808001171e-10 7.238964021158285e-10 4.003009447889625e-10 ] [ -1.046894247563136e-10 -1.845172340170253e-10 -2.391418437265805e-10 ] [ -3.236161254052743e-10 4.351756835115783e-10 -9.277001576410579e-10 ] [ 1.176912482517677e-10 9.420784110714413e-10 -4.353447131450726e-10 ] [ -5.737019569755534e-10 -6.074425148683046e-10 -1.588639830530861e-10 ] [ 2.711099136237408e-10 -2.397771067567277e-10 -1.755660334542778e-10 ] [ -1.580936565338055e-10 -8.809239703261536e-10 4.909775726020972e-10 ] [ 5.77238120995321e-10 -1.884898309482989e-10 1.045338213629015e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 146.07135 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.340321019386941e-17 } }