{ "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" [ 5.40836 0 0 ] "si-unit" "m" "si-value" [ 5.40836e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0676972 5.56169 0 ] "si-unit" "m" "si-value" [ 6.76972e-12 5.561689999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0290382 0.0456166 5.46301 ] "si-unit" "m" "si-value" [ 2.90382e-12 4.56166e-12 5.46301e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.160852 -0.0174641 0.0414383 ] [ 1.3693 1.3835 1.35672 ] [ 0.168786 2.76991 2.61562 ] [ 1.32577 4.00891 4.07743 ] [ 2.71647 0.0672876 2.67609 ] [ 4.01486 1.47906 4.19059 ] [ 2.74225 2.69331 -0.0428987 ] [ 4.04746 4.06755 1.1226 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.60852e-11 -1.74641e-12 4.14383e-12 ] [ 1.3693e-10 1.3835e-10 1.35672e-10 ] [ 1.68786e-11 2.76991e-10 2.61562e-10 ] [ 1.32577e-10 4.008910000000001e-10 4.07743e-10 ] [ 2.71647e-10 6.728760000000001e-12 2.67609e-10 ] [ 4.01486e-10 1.47906e-10 4.19059e-10 ] [ 2.74225e-10 2.69331e-10 -4.28987e-12 ] [ 4.04746e-10 4.06755e-10 1.1226e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7479259 -0.7843475 -2.9091163 ] [ 4.1532074 0.264098 -1.970805 ] [ -8.5831188 -0.5234593 0.1535447 ] [ 5.3405765 4.3705973 1.4640893 ] [ 0.5339848 -2.9870547 1.6159752 ] [ 7.5815466 -5.6291575 -6.4227101 ] [ -8.0537229 1.7687475 2.4595038 ] [ 3.7754521 3.5205763 5.6095183 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.60701593694342e-09 -1.256663237436315e-09 -4.660918161448534e-09 ] [ 6.654171852435891e-09 4.23131644686132e-10 -3.15757772117037e-09 ] [ -1.375167238820612e-08 -8.38674259309996e-10 2.460057306145398e-10 ] [ 8.556546880389501e-09 7.002468870683488e-09 2.345729666549416e-09 ] [ 8.555379694711633e-10 -4.785789244819879e-09 2.589077706563477e-09 ] [ 1.214697681210214e-08 -9.018904615605853e-09 -1.02903160491758e-08 ] [ -1.290348664709072e-08 2.833845915945915e-09 3.940559519594209e-09 ] [ 6.048941137406231e-09 5.640585086074174e-09 8.987439148255402e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.749005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.407186723174916e-18 } }