{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.368380000000001e-10 0.0 0.0 ] "source-value" [ 5.36838 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.20632e-12 5.46183e-10 0.0 ] "source-value" [ -0.0320632 5.46183 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -8.35799e-12 1.95471e-11 5.461649999999999e-10 ] "source-value" [ -0.0835799 0.195471 5.46165 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.231209575282408e-08 6.31677390913382e-09 -1.063040086328651e-08 ] [ -1.847117382587904e-10 2.531874212034209e-09 -2.881161692999238e-09 ] [ 2.198329398109837e-09 8.616496253602676e-10 -4.966418116966764e-09 ] [ 2.891420910555206e-10 2.006178433365348e-09 8.662322991052093e-09 ] [ 6.222009648108039e-09 -2.33809639714896e-10 1.33687700069159e-09 ] [ -3.785153481876346e-10 -8.739828445300956e-09 -6.313008633857279e-09 ] [ -7.910667917674933e-09 4.593011148716889e-09 2.044317126299858e-09 ] [ -1.254768172575846e-08 -7.335849403812344e-09 1.274747202884858e-08 ] ] "source-value" [ [ 7.684605800000002 3.942620200000001 -6.634974400000002 ] [ -0.11528800000000003 1.5802716000000006 -1.7982797000000004 ] [ 1.3720893000000003 0.5377994000000001 -3.099794400000001 ] [ 0.18046830000000003 1.2521581000000002 5.406596800000001 ] [ 3.883473000000001 -0.14593250000000002 0.8344130000000002 ] [ -0.23625070000000006 -5.454971900000001 -3.940270100000001 ] [ -4.937450600000001 2.8667321000000006 1.2759624000000003 ] [ -7.831647000000002 -4.578677100000001 7.956346300000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -4.45787e-12 9.05296e-12 6.731220000000001e-13 ] [ 1.23056e-10 1.45848e-10 1.40837e-10 ] [ -1.62897e-11 2.78891e-10 2.76222e-10 ] [ 1.2265e-10 4.23635e-10 3.86532e-10 ] [ 2.68005e-10 1.05406e-11 2.5782e-10 ] [ 3.88338e-10 1.64051e-10 4.20954e-10 ] [ 2.69942e-10 2.77008e-10 6.13011e-14 ] [ 4.159570000000001e-10 4.14184e-10 1.16379e-10 ] ] "source-value" [ [ -0.0445787 0.0905296 0.00673122 ] [ 1.23056 1.45848 1.40837 ] [ -0.162897 2.78891 2.76222 ] [ 1.2265 4.23635 3.86532 ] [ 2.68005 0.105406 2.5782 ] [ 3.88338 1.64051 4.20954 ] [ 2.69942 2.77008 0.000613011 ] [ 4.15957 4.14184 1.16379 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.449104425556221e-18 "source-value" -34.010635 } }