{ "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" [ [ 2.0252746000000004 0.16894560000000003 -1.7680462000000003 ] [ 0.3630995000000001 0.18992960000000006 -0.5593094000000001 ] [ 0.8394572000000002 0.4559959000000001 -0.8859075000000002 ] [ 0.17264960000000001 0.7405000000000002 1.8961970000000004 ] [ 0.7326022000000001 0.06636210000000001 0.6504108000000001 ] [ -0.25349210000000005 -1.7281522000000005 -1.4309844000000003 ] [ -1.5842994000000004 0.7088666000000001 -0.08914160000000002 ] [ -2.2952916000000005 -0.6024477000000001 2.1867813000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.244847614820072e-09 2.706806905070285e-10 -2.832722286134282e-09 ] [ 5.817495299241697e-10 3.043007647178958e-10 -8.961124444736756e-10 ] [ 1.34495870000223e-09 7.305859701606549e-10 -1.419380284691376e-09 ] [ 2.766151527104718e-10 1.1864117877024e-09 3.038042501831098e-09 ] [ 1.173758117186646e-09 1.063238051271917e-10 1.042072977675825e-09 ] [ -4.061391161774958e-10 -2.768805052024087e-09 -2.292689750409516e-09 ] [ -2.538327459027468e-09 1.135729493785985e-09 -1.428205874607053e-10 ] [ -3.677462539438626e-09 -9.652276201947323e-10 3.503609873662632e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.692036 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.718494562795196e-18 } }