{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.40836e-10 0.0 0.0 ] "source-value" [ 5.40836 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 6.76972e-12 5.561689999999999e-10 0.0 ] "source-value" [ 0.0676972 5.56169 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.90382e-12 4.56166e-12 5.46301e-10 ] "source-value" [ 0.0290382 0.0456166 5.46301 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.805602041918894e-09 -6.294062735098655e-10 -2.902602180756446e-09 ] [ 2.925451462416323e-09 -2.899846757403993e-10 -8.486453985998823e-10 ] [ -7.074771198664418e-09 -1.8010467938568e-10 7.031781755792775e-10 ] [ 4.549646636298316e-09 4.152223040502648e-09 -1.498983629007514e-10 ] [ 2.501169137967226e-10 -3.417389860337914e-09 1.584353527417234e-09 ] [ 5.491559862960152e-09 -3.747539181349824e-09 -4.478021010030127e-09 ] [ -4.170492340074306e-09 9.451970478638283e-10 7.266845098713446e-10 ] [ 2.834090544968445e-09 3.167004581957207e-09 5.36495073941935e-09 ] ] "source-value" [ [ -2.9994209 -0.3928445 -1.8116618 ] [ 1.8259232 -0.1809942 -0.5296828 ] [ -4.4157249 -0.1124125 0.4388893 ] [ 2.8396661 2.5916138 -0.0935592 ] [ 0.1561107 -2.132967 0.9888757 ] [ 3.4275621 -2.33903 -2.7949609 ] [ -2.6030166 0.5899456 0.4535608 ] [ 1.7689002 1.9766888 3.3485389 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.626243956669787e-18 "source-value" -35.116253 } }