{ "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" [ [ 0.6398607999999999 2.0159068999999996 -0.5645488999999999 ] [ 0.6316422999999999 -0.9436666999999997 -0.11230999999999997 ] [ -0.7716882999999998 1.6958353999999995 -0.06370419999999999 ] [ -0.13596569999999997 -1.1670126999999997 0.32938909999999993 ] [ -0.3908831999999999 0.4830123999999999 -0.30935609999999997 ] [ 0.7560837999999998 -1.4089892999999998 0.3857641999999999 ] [ -1.3901312999999997 0.5742239999999998 -0.9435759999999997 ] [ 0.6610815999999999 -1.2493098999999999 1.2783419999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.025170014326384e-09 3.229838904889403e-09 -9.04507048878357e-10 ] [ 1.01200252576834e-09 -1.511920724567487e-09 -1.799404562820479e-10 ] [ -1.236380952804896e-09 2.717027830605015e-09 -1.020653798867673e-10 ] [ -2.178410657707065e-10 -1.869760464116684e-09 5.277395151663531e-10 ] [ -6.262639245034904e-10 7.738711748364977e-10 -4.956431109218669e-10 ] [ 1.211379787725623e-09 -2.257449715417357e-09 6.180623823816152e-10 ] [ -2.227235868702311e-09 9.20008267902259e-10 -1.51177540714798e-09 ] [ 1.059169483961057e-09 -2.001615113913986e-09 2.048129665786713e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.900176 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.912059929060527e-18 } }