{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4010152999999999 3.6690294999999993 -1.3007712999999999 ] [ 0.5653998999999998 -1.4583599999999999 -0.47087269999999987 ] [ -1.2130607999999998 3.390176699999999 -0.11389969999999998 ] [ -0.5019606999999999 -2.2710138999999994 0.5284975999999999 ] [ -0.8819121999999998 0.6464464999999999 -0.21237039999999993 ] [ 1.7422639999999996 -2.3782875999999997 0.6657326999999998 ] [ -2.9103559999999997 0.9534132999999998 -1.7956681999999995 ] [ 1.7986104999999994 -2.5514044999999994 2.6993520999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.244673959043098e-09 5.878433285925513e-09 -2.084065365867623e-09 ] [ 9.058705011826577e-10 -2.336550296709888e-09 -7.54421231312972e-10 ] [ -1.943537653368944e-09 5.431661849120894e-09 -1.824874364561337e-10 ] [ -8.042296981004024e-10 -3.638565376091828e-09 8.467464988689099e-10 ] [ -1.412979108438293e-09 1.035721468897987e-09 -3.402548898299442e-10 ] [ 2.791414648061491e-09 -3.810436790258542e-09 1.06662136764206e-09 ] [ -4.662904341405005e-09 1.527536499219776e-09 -2.876977608754018e-09 ] [ 2.881691693025397e-09 -4.087800640103913e-09 4.324838825927383e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.794465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.734905497704388e-18 } }