{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.42802e-10 0.0 0.0 ] "source-value" [ 5.42802 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] "source-value" [ -0.0476613 5.42825 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] "source-value" [ -0.0987222 -0.186163 5.49756 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 3.030030016550477e-09 4.173679870461387e-09 -2.793641673564403e-09 ] [ 1.966262606123048e-09 -2.180296579807409e-09 -1.851400641565951e-09 ] [ -1.594382512192794e-09 2.800732266417416e-09 1.494011273864861e-09 ] [ -2.170500711730176e-10 -1.347277209790189e-09 4.157001051621197e-10 ] [ -9.55988668710889e-10 4.466990184213581e-10 -4.264220313261754e-10 ] [ 1.648086030563051e-09 -1.795446545696456e-09 1.355914063299936e-10 ] [ -4.406502729595532e-09 -1.511739197956351e-09 -2.265885816196518e-09 ] [ 5.295451682179949e-10 -5.863517822674177e-10 5.292047537513736e-09 ] ] "source-value" [ [ 1.8911959999999997 2.6050060999999998 -1.7436539999999996 ] [ 1.2272445999999997 -1.3608340999999997 -1.1555533999999998 ] [ -0.9951352999999997 1.7480795999999996 0.9324884999999998 ] [ -0.13547199999999998 -0.8409042999999998 0.25945959999999996 ] [ -0.5966811999999999 0.27880759999999993 -0.26615169999999994 ] [ 1.0286543999999997 -1.1206295999999998 0.08462949999999998 ] [ -2.7503226999999995 -0.9435533999999998 -1.4142546999999999 ] [ 0.3305160999999999 -0.36597199999999996 3.303036299999999 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -9.945243489685002e-18 "source-value" -62.073328 } }