{ "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" [ 5.36838 0 0 ] "si-unit" "m" "si-value" [ 5.368380000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0320632 5.46183 0 ] "si-unit" "m" "si-value" [ -3.20632e-12 5.46183e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0835799 0.195471 5.46165 ] "si-unit" "m" "si-value" [ -8.35799e-12 1.95471e-11 5.461649999999999e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3059027000000003 1.2940650000000002 -1.8141126000000005 ] [ 0.32158870000000006 0.17222730000000003 -0.9538536000000002 ] [ 1.0924489000000002 0.6780164000000001 -1.1291657000000002 ] [ 0.6737575000000001 0.22405290000000005 1.9281048000000005 ] [ 0.9146231000000002 0.08422410000000001 0.8130492000000002 ] [ -0.043072000000000006 -2.4327880000000004 -1.7503965000000004 ] [ -2.1503924000000003 1.1145990000000001 -0.060874800000000014 ] [ -3.1148564000000007 -1.1343967000000001 2.9672492000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.694463395779597e-09 2.073320688795553e-09 -2.906528795218703e-09 ] [ 5.152418966534651e-10 2.759385535235079e-10 -1.528241937585915e-09 ] [ 1.750296086998678e-09 1.086302024598981e-09 -1.809122885549267e-09 ] [ 1.079478514588656e-09 3.589723182024404e-10 3.089164433012261e-09 ] [ 1.465387747663621e-09 1.349418839279213e-10 1.302648419800144e-09 ] [ -6.900895141109761e-11 -3.897756056962791e-09 -2.804444349430148e-09 ] [ -3.445308428826002e-09 1.785784459367059e-09 -9.753218135587587e-11 ] [ -4.990550101229254e-09 -1.817503871452672e-09 4.754057296327504e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.762819 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.569617587490204e-18 } }