{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.14382070000000002 2.1915849000000005 0.18648650000000003 ] [ 6.167104900000002 -5.788112700000001 -5.460644300000001 ] [ -6.094522900000002 5.551140600000001 6.306822300000002 ] [ 0.6138183000000001 -2.7250285000000005 0.6172466000000001 ] [ -0.9539473000000003 1.2983916000000002 1.6925267000000004 ] [ -0.12101780000000002 -0.4462394000000001 1.6410867000000005 ] [ 0.29919750000000006 1.5624310000000003 -2.5534851000000005 ] [ 0.23318790000000006 -1.6441676000000005 -2.4300394000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.304261631270906e-10 3.511306089278307e-09 2.987843103948192e-10 ] [ 9.880791288801125e-09 -9.273578846495566e-09 -8.748916631964783e-09 ] [ -9.76450210531022e-09 8.893907688093687e-09 1.010464324060009e-08 ] [ 9.83445329679201e-10 -4.365976953713694e-09 9.889380717882894e-10 ] [ -1.528392061535284e-09 2.080252666163106e-09 2.711726708819776e-09 ] [ -1.938918898606503e-10 -7.149543339598196e-10 2.629310743445824e-09 ] [ 4.793672395018081e-10 2.503290419813166e-09 -4.091134128781151e-09 ] [ 3.736082016334484e-10 -2.634246889396847e-09 -3.893352314302861e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.588652038775916 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.177142060471303e-18 } }