{ "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" [ [ -3.0507425 -2.931747 -1.8085015 ] [ 0.314867 0.4321317 8.1527243 ] [ 0.5851986 -0.9355258 1.8846523 ] [ -10.7493311 -14.8782411 9.066931 ] [ 7.549864 10.7261431 -12.5343557 ] [ 0.9429297 4.0460017 1.5472796 ] [ 5.6621335 5.5368626 -2.883369 ] [ -1.2549191 -1.9956252 -3.425361 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.887828309580945e-09 -4.697176501500538e-09 -2.897538821981732e-09 ] [ 5.044725460614336e-10 6.923513068465594e-10 1.306210426928805e-08 ] [ 9.37591515444891e-10 -1.498877564915217e-09 3.019545853396948e-09 ] [ -1.722232697765835e-08 -2.383757004904568e-08 1.452682487060677e-08 ] [ 1.209621559101957e-08 1.718517570617524e-08 -2.008225165933122e-08 ] [ 1.510739920397958e-09 6.482409331457055e-09 2.479015200960776e-09 ] [ 9.071737917548477e-09 8.871031810301902e-09 -4.619666400939476e-09 ] [ -2.010602043015377e-09 -3.197344039319324e-09 -5.488033312000109e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.606042 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.903628494762288e-18 } }