{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2114320000000003 0.5957494000000001 -1.2832096000000002 ] [ 1.1504211000000002 -0.5696767000000001 -0.9611134000000002 ] [ -1.0559473000000001 0.28056400000000004 1.8672715000000004 ] [ -0.09337010000000001 0.5231651000000002 -0.4219640000000001 ] [ -1.6824579000000004 -2.7832580000000005 -2.3612611000000006 ] [ 2.1928901000000005 1.9477387000000004 2.1469024000000005 ] [ 0.9849051000000002 -0.30591690000000005 0.16331760000000003 ] [ -2.7078729000000004 0.31163440000000003 0.8500566000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.940928028088986e-09 9.544957605356277e-10 -2.05592842070612e-09 ] [ 1.843177790495019e-09 -9.127226901544955e-10 -1.539873419417599e-09 ] [ -1.691814076856884e-09 4.495130814381313e-10 2.991698741986148e-09 ] [ -1.495953913017581e-10 8.382028920384944e-10 -6.760608556192514e-10 ] [ -2.695594712860265e-09 -4.459270897254567e-09 -3.783157330024492e-09 ] [ 3.513397250203775e-09 3.120621408567385e-09 3.439716832419411e-09 ] [ 1.577991924926686e-09 -4.901329050876116e-10 2.616636404851661e-10 ] [ -4.338490652477897e-09 4.992933499170356e-10 1.361940810876738e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -216.69116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.471775104860321e-17 } }