{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6912871 0.862796 0.8609007 ] [ -0.4816604 0.9243506 -1.6879725 ] [ -1.8216122 -0.8638276 -3.5614239 ] [ -1.022821 6.1145714 -3.9446605 ] [ -1.6051703 -3.2685363 -0.4500108 ] [ 0.6734462 1.2105948 1.9377764 ] [ 0.6884826 -6.4344967 2.4972824 ] [ 1.8780479 1.4545477 4.3481082 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.709740673005621e-09 1.382351591108664e-09 1.379314985734244e-09 ] [ -7.717050384030935e-10 1.48097293294388e-09 -2.704430098334565e-09 ] [ -2.918544503049335e-09 -1.384004396524298e-09 -5.706030156349152e-09 ] [ -1.638739906964514e-09 9.796623424004666e-09 -6.320042882162757e-09 ] [ -2.57176634825077e-09 -5.236772487240814e-09 -7.209967888076471e-10 ] [ 1.078979765896091e-09 1.939586701801903e-09 3.104660069996637e-09 ] [ 1.103070734635568e-09 -1.030920026429011e-08 4.001087509779442e-09 ] [ 3.008964462912768e-09 2.330442337978442e-09 6.966437360143798e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.44006 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.678123603955804e-18 } }