{ "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" [ 5.46438 0 0 ] "si-unit" "m" "si-value" [ 5.46438e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0372754 5.43203 0 ] "si-unit" "m" "si-value" [ 3.72754e-12 5.432030000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.17857 -0.0223871 5.50346 ] "si-unit" "m" "si-value" [ 1.7857e-11 -2.23871e-12 5.503459999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00726127 0.010583 0.00336114 ] [ 1.28417 1.2786 1.26313 ] [ 0.0794421 2.71348 2.73185 ] [ 1.57701 4.05847 4.12903 ] [ 2.78941 -0.159624 2.68623 ] [ 4.22148 1.3448 3.91745 ] [ 2.73822 2.68922 0.00939316 ] [ 4.14349 4.04668 1.21083 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.26127e-13 1.0583e-12 3.36114e-13 ] [ 1.28417e-10 1.2786e-10 1.26313e-10 ] [ 7.944210000000001e-12 2.71348e-10 2.73185e-10 ] [ 1.57701e-10 4.05847e-10 4.12903e-10 ] [ 2.78941e-10 -1.59624e-11 2.68623e-10 ] [ 4.22148e-10 1.3448e-10 3.91745e-10 ] [ 2.73822e-10 2.68922e-10 9.39316e-13 ] [ 4.14349e-10 4.04668e-10 1.21083e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1350734 -0.2081148 -2.0941072 ] [ 1.7706275 0.7170035 1.7197798 ] [ 0.4591283 0.7051608 -0.9747343 ] [ -0.8954435 -0.8966719 0.1117841 ] [ 0.1026048 1.7538246 -0.7491934 ] [ -0.4811685 -0.9944143 1.8124249 ] [ -0.2309796 -0.5794312 -1.202338 ] [ 0.4103044 -0.4973565 1.3763842 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.818588079354935e-09 -3.334366697495831e-10 -3.355129624931165e-09 ] [ 2.836858008017835e-09 1.148766254196219e-09 2.755391011185193e-09 ] [ 7.35604634268142e-10 1.129792156972747e-09 -1.561696519818346e-09 ] [ -1.434658652767179e-09 -1.436626766544384e-09 1.790978730727194e-10 ] [ 1.643910130962432e-10 2.809936794254396e-09 -1.200340159827016e-09 ] [ -7.709169277168289e-10 -1.593227355975466e-09 2.903824825659786e-09 ] [ -3.700701180506663e-10 -9.283511296505808e-10 -1.926357849770292e-09 ] [ 6.573801225073894e-10 -7.968529630680208e-10 2.205210604646782e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.104838 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.784632781795529e-18 } }