{ "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" [ [ -1.7773068 -1.2647374 -1.1163863 ] [ 2.4551248 -0.2727881 -1.6798412 ] [ -3.6674603 0.3722324 0.0701557 ] [ 1.8554776 1.8711652 1.9280967 ] [ 0.1875448 -0.5493457 0.4228966 ] [ 4.7411294 -4.5279832 -4.4837111 ] [ -6.5020054 2.2342843 2.7365186 ] [ 2.7074959 2.1371725 2.1222709 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.847559402948862e-09 -2.026332693731378e-09 -1.788648029641415e-09 ] [ 3.933543555706276e-09 -4.370547162524524e-10 -2.691402297296617e-09 ] [ -5.875919150372155e-09 5.963820487842739e-10 1.124018223558586e-10 ] [ 2.972802831138094e-09 2.997937137094556e-09 3.089151455381631e-09 ] [ 3.004798939126119e-10 -8.801488372770107e-10 6.775550455358093e-10 ] [ 7.596126680867532e-09 -7.254628822415171e-09 -7.18369709884145e-09 ] [ -1.041736104019535e-08 3.579718069680494e-09 4.384386123304348e-09 ] [ 4.337886631891855e-09 3.424127814116688e-09 3.400252818984175e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -60.150117 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.637111119578464e-18 } }