{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7472735 -3.2951299 -2.2216618 ] [ -1.2539608 -0.6498031 6.61141 ] [ 1.0187316 -0.8490961 1.8997363 ] [ -11.2097231 -14.2055306 8.1812111 ] [ 6.8736532 10.2371948 -10.9432865 ] [ 2.2047279 4.095396 1.4928622 ] [ 6.3361542 5.407414 -2.7449237 ] [ -1.2223095 -0.7404451 -2.2753477 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.401617372643388e-09 -5.279380088279042e-09 -3.559494595284445e-09 ] [ -2.009066677159665e-09 -1.041099334943364e-09 1.059264653252333e-08 ] [ 1.632187952390177e-09 -1.360401920232459e-09 3.043713085545095e-09 ] [ -1.79599562764617e-08 -2.2759769013379e-08 1.310774515424945e-08 ] [ 1.101280645652711e-08 1.640179417113533e-08 -1.753307778501626e-08 ] [ 3.53236349660548e-09 6.561547724117837e-09 2.391828914916054e-09 ] [ 1.015163812502373e-08 8.663632289786612e-09 -4.397852578019833e-09 ] [ -1.958355704281738e-09 -1.186323828205918e-09 -3.645508889131053e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.603219 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.019258282862236e-18 } }