{ "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" [ 5.51396 0 0 ] "si-unit" "m" "si-value" [ 5.51396e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0181329 5.46551 0 ] "si-unit" "m" "si-value" [ 1.81329e-12 5.46551e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.147171 -0.00272143 5.46493 ] "si-unit" "m" "si-value" [ 1.47171e-11 -2.72143e-13 5.46493e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0812176 -0.117418 -0.0378641 ] [ 1.41633 1.35692 1.32004 ] [ 0.0825096 2.73802 2.72856 ] [ 1.5042 4.09281 4.08646 ] [ 2.79856 -0.0135645 2.62504 ] [ 4.22175 1.43085 4.07963 ] [ 2.7526 2.68069 -0.168753 ] [ 4.2604 4.00574 1.18537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.12176e-12 -1.17418e-11 -3.78641e-12 ] [ 1.41633e-10 1.35692e-10 1.32004e-10 ] [ 8.25096e-12 2.73802e-10 2.72856e-10 ] [ 1.5042e-10 4.09281e-10 4.08646e-10 ] [ 2.79856e-10 -1.35645e-12 2.62504e-10 ] [ 4.22175e-10 1.43085e-10 4.07963e-10 ] [ 2.7526e-10 2.68069e-10 -1.68753e-11 ] [ 4.2604e-10 4.00574e-10 1.18537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9067908 3.0264131 -1.1502078 ] [ -0.6336722 -0.4917653 -0.636984 ] [ 0.3334713 0.1631508 -0.5662745 ] [ -0.107082 -0.196958 -1.3182017 ] [ 1.0147823 -0.0829601 0.4414811 ] [ 0.8798508 -2.8019893 -1.7259498 ] [ -0.9097647 1.3407276 2.6231407 ] [ -2.4843763 -0.9566188 2.332996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.055015640516529e-09 4.848848313702853e-09 -1.842836046221802e-09 ] [ -1.015254784090902e-09 -7.878948665806982e-10 -1.020560872623667e-09 ] [ 5.342799205677831e-10 2.613963974248167e-10 -9.072717648552096e-10 ] [ -1.715642769085056e-10 -3.155615028795264e-10 -2.111991945238815e-09 ] [ 1.625860476261652e-09 -1.329167326792301e-10 7.073306969450669e-10 ] [ 1.409676381552177e-09 -4.489281748191757e-09 -2.765276418234436e-09 ] [ -1.457603732769126e-09 2.148082415581294e-09 4.202734702608947e-09 ] [ -3.980409625129608e-09 -1.532672276377751e-09 3.737871647619917e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.115747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.786380548612774e-18 } }