{ "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" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6037634 0.8216189 -0.2857143 ] [ -0.6681036 1.3172275 -1.5510726 ] [ 0.2816545 -0.0631422 1.0194403 ] [ 0.0940243 -0.6147949 -0.5640968 ] [ 0.7037015 0.6071407 3.6409601 ] [ -1.5845846 0.5200652 -0.7707419 ] [ -0.6436047 -1.1090945 -1.3257888 ] [ 1.2131492 -1.4790206 -0.162986 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.673356039747186e-10 1.316378592787413e-09 -4.577647716882374e-10 ] [ -1.070419968192315e-09 2.110431104774832e-09 -2.48509225688347e-09 ] [ 4.512602550431136e-10 -1.011649566258778e-10 1.633323414961338e-09 ] [ 1.506435352470854e-10 -9.850100153670739e-10 -9.037827048280934e-10 ] [ 1.127454091321891e-09 9.727466350761465e-10 5.833461149485631e-09 ] [ -2.53878439979972e-09 8.332363047316761e-10 -1.234864652850972e-09 ] [ -1.031168403376998e-09 -1.776965278157866e-09 -2.124147819478487e-09 ] [ 1.943679285782223e-09 -2.369652227001588e-09 -2.611323587177088e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.313674 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.818091949815282e-18 } }