{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.687172300000002 -5.937134200000001 -2.8410702000000003 ] [ -0.5711725000000001 -0.27598290000000003 -0.6085236000000002 ] [ 0.7199559000000001 -2.0104946000000004 1.6555014000000003 ] [ -4.523372400000001 6.5025821000000015 5.024008000000001 ] [ 0.5860978000000001 -0.5762175000000002 0.8354911000000003 ] [ -1.2108409000000002 1.2733035000000001 -1.5050586000000004 ] [ 0.32069780000000003 -0.9974972000000002 -1.9275118000000004 ] [ -2.0085380000000006 2.0214408000000006 -0.6328364000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.071403120659204e-08 -9.512337688162284e-09 -4.551896289993706e-09 ] [ -9.15119233483365e-10 -4.421733537635586e-10 -9.749622931575626e-10 ] [ 1.153496520490441e-09 -3.221167470903177e-09 2.652405660634288e-09 ] [ -7.247241566160503e-09 1.041828510128665e-08 8.049348226629073e-09 ] [ 9.390322003988054e-10 -9.232022146018952e-10 1.338604318334958e-09 ] [ -1.939980997471531e-09 2.040057115690419e-09 -2.411369721720753e-09 ] [ 5.138145217352052e-10 -1.598166706320425e-09 -3.088214367719281e-09 ] [ -3.218032652101093e-09 3.238705216774268e-09 -1.013915693224678e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.244915 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.64685792803161e-18 } }