{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3310397 0.2671965 -2.8359528 ] [ 0.9710314 2.1629845 -0.4529989 ] [ 1.0884752 -0.1072261 0.9267127 ] [ 0.9821982 -0.1754589 0.5600178 ] [ 0.4587618 -0.6027686 2.3644626 ] [ -0.7177704 -1.8844817 -1.1112593 ] [ -2.4441011 0.4240005 -0.4997799 ] [ -1.6696347 -0.084246 1.0487978 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.132560688696646e-09 4.280959854595872e-10 -4.543697273852298e-09 ] [ 1.555763807142693e-09 3.465483197052777e-09 -7.257842468281172e-10 ] [ 1.743929517760604e-09 -1.717951505595629e-10 1.484757422138444e-09 ] [ 1.573654993031842e-09 -2.811161474912851e-10 8.972474263918503e-10 ] [ 7.350174304761255e-10 -9.657417586723468e-10 3.788286698475983e-09 ] [ -1.149994953982264e-09 -3.01927252206544e-09 -1.780433670106573e-09 ] [ -3.915881641291564e-09 6.793236883075104e-10 -8.007356713257619e-10 ] [ -2.675049681616422e-09 -1.349769715959168e-10 1.680359315106474e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.591286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.702352633340635e-18 } }