{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5238188 4.0471781 2.0844732 ] [ -4.5481112 -3.5625634 6.0106045 ] [ -1.7022398 -6.1748113 -3.2515879 ] [ 5.2445879 -2.0403115 3.5466543 ] [ -0.6626837 2.0659662 -3.3080913 ] [ 1.9927254 0.9356469 1.1437184 ] [ 2.2468366 3.8913079 -5.4279885 ] [ 0.9527035 0.837587 -0.7977826 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.645780143809919e-09 6.484294185456514e-09 3.339694255239209e-09 ] [ -7.2868774934737e-09 -5.707855836623595e-09 9.630050086115253e-09 ] [ -2.727288833024833e-09 -9.893138384219163e-09 -5.209618156777129e-09 ] [ 8.402756188339127e-09 -3.268939411381491e-09 5.682366648335626e-09 ] [ -1.061736339872666e-09 3.310042772273771e-09 -5.300146583998684e-09 ] [ 3.192698073858304e-09 1.499071600854534e-09 1.832438896355866e-09 ] [ 3.599829100936004e-09 6.234562593079608e-09 -8.696596344320708e-09 ] [ 1.526399286830019e-09 1.341962320342158e-09 -1.278188640731768e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.245269292303476 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.365173384716634e-18 } }