{ "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" [ 5.47211 0 0 ] "si-unit" "m" "si-value" [ 5.47211e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.102197 5.35978 0 ] "si-unit" "m" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0185088 0.0167086 5.27242 ] "si-unit" "m" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0206047 -0.814352 -0.8048581 ] [ 1.6064909 0.9314323 1.0761453 ] [ -0.7435225 1.2320823 -1.1021053 ] [ -0.6161043 0.1541874 0.149945 ] [ -0.7170255 -0.6785171 -2.1454864 ] [ 1.7794124 -0.5003022 -0.6694235 ] [ -0.7992012 0.531723 2.6204931 ] [ 0.510555 -0.8562537 0.8752899 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.635188989418598e-09 -1.304735735501722e-09 -1.289524830881509e-09 ] [ 2.573882161507951e-09 1.492319054917972e-09 1.724174840243802e-09 ] [ -1.191254366538768e-09 1.974013455961492e-09 -1.76576734531977e-09 ] [ -9.871079054343494e-10 2.470354475019379e-10 2.40238373405856e-10 ] [ -1.14880149261743e-09 -1.087104234433016e-09 -3.437448150324357e-09 ] [ 2.850932946041618e-09 -8.015724881748059e-10 -1.072534681114109e-09 ] [ -1.280461477955305e-09 8.519141593416383e-10 4.198492779787717e-09 ] [ 8.179992846325439e-10 -1.371869659613497e-09 1.40236901420237e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.050494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.775925865509068e-18 } }