{ "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" [ [ 1.0569053000000002 8.394166200000003 0.6984652000000001 ] [ 1.3037011000000003 -3.283835500000001 1.4345209000000003 ] [ 2.8577910000000006 2.2668735000000004 -1.4711334000000003 ] [ 3.657314400000001 0.5876667000000001 -8.534837600000001 ] [ -12.681118900000003 -0.7661065000000002 1.5715857000000004 ] [ 5.2347131000000005 0.24271980000000007 0.5481728000000001 ] [ 1.3630741000000002 2.0464268000000003 4.6998975000000005 ] [ -2.7923801000000004 -9.487911100000002 1.0533289000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.693348962059611e-09 1.344893683674958e-08 1.119064613882396e-09 ] [ 2.088759422931244e-09 -5.26128446465308e-09 2.298355848028975e-09 ] [ 4.578685927332654e-09 3.63193172401107e-09 -2.357015539558015e-09 ] [ 5.859663626595181e-09 9.415458475626876e-10 -1.367431726504478e-08 ] [ -2.031739222716502e-08 -1.227437923342916e-09 2.517957866123603e-09 ] [ 8.386934945415493e-09 3.88879988965252e-10 8.782696443184745e-10 ] [ 2.183885455438002e-09 3.278737175138558e-09 7.530065894656368e-09 ] [ -4.473886112607167e-09 -1.520130934464881e-08 1.687618937592981e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.752575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.844276062399856e-18 } }